==================================================================================== -------------------------------ring property (I)------------------------------------ Ring 1 1 1 1 C1 1 2 2 C2 1 3 3 C3 1 4 4 C4 1 5 5 C5 1 6 6 C6 Ring 2 2 1 25 C10 2 2 26 C11 2 3 27 C12 2 4 28 C13 2 5 29 C14 2 6 30 C15 Ring 3 3 1 49 C19 3 2 50 C20 3 3 51 C21 3 4 52 C22 3 5 53 C23 3 6 54 C24 Ring 4 4 1 73 C28 4 2 74 C29 4 3 75 C30 4 4 76 C31 4 5 77 C32 4 6 78 C33 Ring 5 5 1 97 C37 5 2 98 C38 5 3 99 C39 5 4 100 C40 5 5 101 C41 5 6 102 C42 Ring 6 6 1 121 C46 6 2 122 C47 6 3 123 C48 6 4 124 C49 6 5 125 C50 6 6 126 C51 Ring 7 7 1 145 C55 7 2 146 C56 7 3 147 C57 7 4 148 C58 7 5 149 C59 7 6 150 C60 Ring 8 8 1 169 C64 8 2 170 C65 8 3 171 C66 8 4 172 C67 8 5 173 C68 8 6 174 C69 ==================================================================================== -------------------------------ring property (II)------------------------------------ atom[ 1] (C1 ) belongs to one member of 6-membered ring (No 1) atom[ 2] (C2 ) belongs to one member of 6-membered ring (No 1) atom[ 3] (C3 ) belongs to one member of 6-membered ring (No 1) atom[ 4] (C4 ) belongs to one member of 6-membered ring (No 1) atom[ 5] (C5 ) belongs to one member of 6-membered ring (No 1) atom[ 6] (C6 ) belongs to one member of 6-membered ring (No 1) atom[25] (C10 ) belongs to one member of 6-membered ring (No 2) atom[26] (C11 ) belongs to one member of 6-membered ring (No 2) atom[27] (C12 ) belongs to one member of 6-membered ring (No 2) atom[28] (C13 ) belongs to one member of 6-membered ring (No 2) atom[29] (C14 ) belongs to one member of 6-membered ring (No 2) atom[30] (C15 ) belongs to one member of 6-membered ring (No 2) atom[49] (C19 ) belongs to one member of 6-membered ring (No 3) atom[50] (C20 ) belongs to one member of 6-membered ring (No 3) atom[51] (C21 ) belongs to one member of 6-membered ring (No 3) atom[52] (C22 ) belongs to one member of 6-membered ring (No 3) atom[53] (C23 ) belongs to one member of 6-membered ring (No 3) atom[54] (C24 ) belongs to one member of 6-membered ring (No 3) atom[73] (C28 ) belongs to one member of 6-membered ring (No 4) atom[74] (C29 ) belongs to one member of 6-membered ring (No 4) atom[75] (C30 ) belongs to one member of 6-membered ring (No 4) atom[76] (C31 ) belongs to one member of 6-membered ring (No 4) atom[77] (C32 ) belongs to one member of 6-membered ring (No 4) atom[78] (C33 ) belongs to one member of 6-membered ring (No 4) atom[97] (C37 ) belongs to one member of 6-membered ring (No 5) atom[98] (C38 ) belongs to one member of 6-membered ring (No 5) atom[99] (C39 ) belongs to one member of 6-membered ring (No 5) atom[100] (C40 ) belongs to one member of 6-membered ring (No 5) atom[101] (C41 ) belongs to one member of 6-membered ring (No 5) atom[102] (C42 ) belongs to one member of 6-membered ring (No 5) atom[121] (C46 ) belongs to one member of 6-membered ring (No 6) atom[122] (C47 ) belongs to one member of 6-membered ring (No 6) atom[123] (C48 ) belongs to one member of 6-membered ring (No 6) atom[124] (C49 ) belongs to one member of 6-membered ring (No 6) atom[125] (C50 ) belongs to one member of 6-membered ring (No 6) atom[126] (C51 ) belongs to one member of 6-membered ring (No 6) atom[145] (C55 ) belongs to one member of 6-membered ring (No 7) atom[146] (C56 ) belongs to one member of 6-membered ring (No 7) atom[147] (C57 ) belongs to one member of 6-membered ring (No 7) atom[148] (C58 ) belongs to one member of 6-membered ring (No 7) atom[149] (C59 ) belongs to one member of 6-membered ring (No 7) atom[150] (C60 ) belongs to one member of 6-membered ring (No 7) atom[169] (C64 ) belongs to one member of 6-membered ring (No 8) atom[170] (C65 ) belongs to one member of 6-membered ring (No 8) atom[171] (C66 ) belongs to one member of 6-membered ring (No 8) atom[172] (C67 ) belongs to one member of 6-membered ring (No 8) atom[173] (C68 ) belongs to one member of 6-membered ring (No 8) atom[174] (C69 ) belongs to one member of 6-membered ring (No 8) ==================================================================================== -------------------------------ring property (III)----------------------------------- atom[ 1] (C1 ) involves in 1 6-member of ring(s) atom[ 2] (C2 ) involves in 1 6-member of ring(s) atom[ 3] (C3 ) involves in 1 6-member of ring(s) atom[ 4] (C4 ) involves in 1 6-member of ring(s) atom[ 5] (C5 ) involves in 1 6-member of ring(s) atom[ 6] (C6 ) involves in 1 6-member of ring(s) atom[ 7] (C7 ) is not in any ring (nr[7]=1) atom[ 8] (C8 ) is not in any ring (nr[8]=1) atom[ 9] (C9 ) is not in any ring (nr[9]=1) atom[10] (H1 ) is not in any ring (nr[10]=1) atom[11] (H2 ) is not in any ring (nr[11]=1) atom[12] (H3 ) is not in any ring (nr[12]=1) atom[13] (O1 ) is not in any ring (nr[13]=1) atom[14] (O2 ) is not in any ring (nr[14]=1) atom[15] (O3 ) is not in any ring (nr[15]=1) atom[16] (N1 ) is not in any ring (nr[16]=1) atom[17] (N2 ) is not in any ring (nr[17]=1) atom[18] (N3 ) is not in any ring (nr[18]=1) atom[19] (H4 ) is not in any ring (nr[19]=1) atom[20] (H5 ) is not in any ring (nr[20]=1) atom[21] (H6 ) is not in any ring (nr[21]=1) atom[22] (H7 ) is not in any ring (nr[22]=1) atom[23] (H8 ) is not in any ring (nr[23]=1) atom[24] (H9 ) is not in any ring (nr[24]=1) atom[25] (C10 ) involves in 1 6-member of ring(s) atom[26] (C11 ) involves in 1 6-member of ring(s) atom[27] (C12 ) involves in 1 6-member of ring(s) atom[28] (C13 ) involves in 1 6-member of ring(s) atom[29] (C14 ) involves in 1 6-member of ring(s) atom[30] (C15 ) involves in 1 6-member of ring(s) atom[31] (C16 ) is not in any ring (nr[31]=1) atom[32] (C17 ) is not in any ring (nr[32]=1) atom[33] (C18 ) is not in any ring (nr[33]=1) atom[34] (H10 ) is not in any ring (nr[34]=1) atom[35] (H11 ) is not in any ring (nr[35]=1) atom[36] (H12 ) is not in any ring (nr[36]=1) atom[37] (O4 ) is not in any ring (nr[37]=1) atom[38] (O5 ) is not in any ring (nr[38]=1) atom[39] (O6 ) is not in any ring (nr[39]=1) atom[40] (N4 ) is not in any ring (nr[40]=1) atom[41] (N5 ) is not in any ring (nr[41]=1) atom[42] (N6 ) is not in any ring (nr[42]=1) atom[43] (H13 ) is not in any ring (nr[43]=1) atom[44] (H14 ) is not in any ring (nr[44]=1) atom[45] (H15 ) is not in any ring (nr[45]=1) atom[46] (H16 ) is not in any ring (nr[46]=1) atom[47] (H17 ) is not in any ring (nr[47]=1) atom[48] (H18 ) is not in any ring (nr[48]=1) atom[49] (C19 ) involves in 1 6-member of ring(s) atom[50] (C20 ) involves in 1 6-member of ring(s) atom[51] (C21 ) involves in 1 6-member of ring(s) atom[52] (C22 ) involves in 1 6-member of ring(s) atom[53] (C23 ) involves in 1 6-member of ring(s) atom[54] (C24 ) involves in 1 6-member of ring(s) atom[55] (C25 ) is not in any ring (nr[55]=1) atom[56] (C26 ) is not in any ring (nr[56]=1) atom[57] (C27 ) is not in any ring (nr[57]=1) atom[58] (H19 ) is not in any ring (nr[58]=1) atom[59] (H20 ) is not in any ring (nr[59]=1) atom[60] (H21 ) is not in any ring (nr[60]=1) atom[61] (O7 ) is not in any ring (nr[61]=1) atom[62] (O8 ) is not in any ring (nr[62]=1) atom[63] (O9 ) is not in any ring (nr[63]=1) atom[64] (N7 ) is not in any ring (nr[64]=1) atom[65] (N8 ) is not in any ring (nr[65]=1) atom[66] (N9 ) is not in any ring (nr[66]=1) atom[67] (H22 ) is not in any ring (nr[67]=1) atom[68] (H23 ) is not in any ring (nr[68]=1) atom[69] (H24 ) is not in any ring (nr[69]=1) atom[70] (H25 ) is not in any ring (nr[70]=1) atom[71] (H26 ) is not in any ring (nr[71]=1) atom[72] (H27 ) is not in any ring (nr[72]=1) atom[73] (C28 ) involves in 1 6-member of ring(s) atom[74] (C29 ) involves in 1 6-member of ring(s) atom[75] (C30 ) involves in 1 6-member of ring(s) atom[76] (C31 ) involves in 1 6-member of ring(s) atom[77] (C32 ) involves in 1 6-member of ring(s) atom[78] (C33 ) involves in 1 6-member of ring(s) atom[79] (C34 ) is not in any ring (nr[79]=1) atom[80] (C35 ) is not in any ring (nr[80]=1) atom[81] (C36 ) is not in any ring (nr[81]=1) atom[82] (H28 ) is not in any ring (nr[82]=1) atom[83] (H29 ) is not in any ring (nr[83]=1) atom[84] (H30 ) is not in any ring (nr[84]=1) atom[85] (O10 ) is not in any ring (nr[85]=1) atom[86] (O11 ) is not in any ring (nr[86]=1) atom[87] (O12 ) is not in any ring (nr[87]=1) atom[88] (N10 ) is not in any ring (nr[88]=1) atom[89] (N11 ) is not in any ring (nr[89]=1) atom[90] (N12 ) is not in any ring (nr[90]=1) atom[91] (H31 ) is not in any ring (nr[91]=1) atom[92] (H32 ) is not in any ring (nr[92]=1) atom[93] (H33 ) is not in any ring (nr[93]=1) atom[94] (H34 ) is not in any ring (nr[94]=1) atom[95] (H35 ) is not in any ring (nr[95]=1) atom[96] (H36 ) is not in any ring (nr[96]=1) atom[97] (C37 ) involves in 1 6-member of ring(s) atom[98] (C38 ) involves in 1 6-member of ring(s) atom[99] (C39 ) involves in 1 6-member of ring(s) atom[100] (C40 ) involves in 1 6-member of ring(s) atom[101] (C41 ) involves in 1 6-member of ring(s) atom[102] (C42 ) involves in 1 6-member of ring(s) atom[103] (C43 ) is not in any ring (nr[103]=1) atom[104] (C44 ) is not in any ring (nr[104]=1) atom[105] (C45 ) is not in any ring (nr[105]=1) atom[106] (H37 ) is not in any ring (nr[106]=1) atom[107] (H38 ) is not in any ring (nr[107]=1) atom[108] (H39 ) is not in any ring (nr[108]=1) atom[109] (O13 ) is not in any ring (nr[109]=1) atom[110] (O14 ) is not in any ring (nr[110]=1) atom[111] (O15 ) is not in any ring (nr[111]=1) atom[112] (N13 ) is not in any ring (nr[112]=1) atom[113] (N14 ) is not in any ring (nr[113]=1) atom[114] (N15 ) is not in any ring (nr[114]=1) atom[115] (H40 ) is not in any ring (nr[115]=1) atom[116] (H41 ) is not in any ring (nr[116]=1) atom[117] (H42 ) is not in any ring (nr[117]=1) atom[118] (H43 ) is not in any ring (nr[118]=1) atom[119] (H44 ) is not in any ring (nr[119]=1) atom[120] (H45 ) is not in any ring (nr[120]=1) atom[121] (C46 ) involves in 1 6-member of ring(s) atom[122] (C47 ) involves in 1 6-member of ring(s) atom[123] (C48 ) involves in 1 6-member of ring(s) atom[124] (C49 ) involves in 1 6-member of ring(s) atom[125] (C50 ) involves in 1 6-member of ring(s) atom[126] (C51 ) involves in 1 6-member of ring(s) atom[127] (C52 ) is not in any ring (nr[127]=1) atom[128] (C53 ) is not in any ring (nr[128]=1) atom[129] (C54 ) is not in any ring (nr[129]=1) atom[130] (H46 ) is not in any ring (nr[130]=1) atom[131] (H47 ) is not in any ring (nr[131]=1) atom[132] (H48 ) is not in any ring (nr[132]=1) atom[133] (O16 ) is not in any ring (nr[133]=1) atom[134] (O17 ) is not in any ring (nr[134]=1) atom[135] (O18 ) is not in any ring (nr[135]=1) atom[136] (N16 ) is not in any ring (nr[136]=1) atom[137] (N17 ) is not in any ring (nr[137]=1) atom[138] (N18 ) is not in any ring (nr[138]=1) atom[139] (H49 ) is not in any ring (nr[139]=1) atom[140] (H50 ) is not in any ring (nr[140]=1) atom[141] (H51 ) is not in any ring (nr[141]=1) atom[142] (H52 ) is not in any ring (nr[142]=1) atom[143] (H53 ) is not in any ring (nr[143]=1) atom[144] (H54 ) is not in any ring (nr[144]=1) atom[145] (C55 ) involves in 1 6-member of ring(s) atom[146] (C56 ) involves in 1 6-member of ring(s) atom[147] (C57 ) involves in 1 6-member of ring(s) atom[148] (C58 ) involves in 1 6-member of ring(s) atom[149] (C59 ) involves in 1 6-member of ring(s) atom[150] (C60 ) involves in 1 6-member of ring(s) atom[151] (C61 ) is not in any ring (nr[151]=1) atom[152] (C62 ) is not in any ring (nr[152]=1) atom[153] (C63 ) is not in any ring (nr[153]=1) atom[154] (H55 ) is not in any ring (nr[154]=1) atom[155] (H56 ) is not in any ring (nr[155]=1) atom[156] (H57 ) is not in any ring (nr[156]=1) atom[157] (O19 ) is not in any ring (nr[157]=1) atom[158] (O20 ) is not in any ring (nr[158]=1) atom[159] (O21 ) is not in any ring (nr[159]=1) atom[160] (N19 ) is not in any ring (nr[160]=1) atom[161] (N20 ) is not in any ring (nr[161]=1) atom[162] (N21 ) is not in any ring (nr[162]=1) atom[163] (H58 ) is not in any ring (nr[163]=1) atom[164] (H59 ) is not in any ring (nr[164]=1) atom[165] (H60 ) is not in any ring (nr[165]=1) atom[166] (H61 ) is not in any ring (nr[166]=1) atom[167] (H62 ) is not in any ring (nr[167]=1) atom[168] (H63 ) is not in any ring (nr[168]=1) atom[169] (C64 ) involves in 1 6-member of ring(s) atom[170] (C65 ) involves in 1 6-member of ring(s) atom[171] (C66 ) involves in 1 6-member of ring(s) atom[172] (C67 ) involves in 1 6-member of ring(s) atom[173] (C68 ) involves in 1 6-member of ring(s) atom[174] (C69 ) involves in 1 6-member of ring(s) atom[175] (C70 ) is not in any ring (nr[175]=1) atom[176] (C71 ) is not in any ring (nr[176]=1) atom[177] (C72 ) is not in any ring (nr[177]=1) atom[178] (H64 ) is not in any ring (nr[178]=1) atom[179] (H65 ) is not in any ring (nr[179]=1) atom[180] (H66 ) is not in any ring (nr[180]=1) atom[181] (O22 ) is not in any ring (nr[181]=1) atom[182] (O23 ) is not in any ring (nr[182]=1) atom[183] (O24 ) is not in any ring (nr[183]=1) atom[184] (N22 ) is not in any ring (nr[184]=1) atom[185] (N23 ) is not in any ring (nr[185]=1) atom[186] (N24 ) is not in any ring (nr[186]=1) atom[187] (H67 ) is not in any ring (nr[187]=1) atom[188] (H68 ) is not in any ring (nr[188]=1) atom[189] (H69 ) is not in any ring (nr[189]=1) atom[190] (H70 ) is not in any ring (nr[190]=1) atom[191] (H71 ) is not in any ring (nr[191]=1) atom[192] (H72 ) is not in any ring (nr[192]=1) ==================================================================================== -------------------------------aromatic property------------------------------------ atom[ 1] (C1 ) is in 1 pure aromatic ring(s) (AR1) atom[ 2] (C2 ) is in 1 pure aromatic ring(s) (AR1) atom[ 3] (C3 ) is in 1 pure aromatic ring(s) (AR1) atom[ 4] (C4 ) is in 1 pure aromatic ring(s) (AR1) atom[ 5] (C5 ) is in 1 pure aromatic ring(s) (AR1) atom[ 6] (C6 ) is in 1 pure aromatic ring(s) (AR1) atom[25] (C10 ) is in 1 pure aromatic ring(s) (AR1) atom[26] (C11 ) is in 1 pure aromatic ring(s) (AR1) atom[27] (C12 ) is in 1 pure aromatic ring(s) (AR1) atom[28] (C13 ) is in 1 pure aromatic ring(s) (AR1) atom[29] (C14 ) is in 1 pure aromatic ring(s) (AR1) atom[30] (C15 ) is in 1 pure aromatic ring(s) (AR1) atom[49] (C19 ) is in 1 pure aromatic ring(s) (AR1) atom[50] (C20 ) is in 1 pure aromatic ring(s) (AR1) atom[51] (C21 ) is in 1 pure aromatic ring(s) (AR1) atom[52] (C22 ) is in 1 pure aromatic ring(s) (AR1) atom[53] (C23 ) is in 1 pure aromatic ring(s) (AR1) atom[54] (C24 ) is in 1 pure aromatic ring(s) (AR1) atom[73] (C28 ) is in 1 pure aromatic ring(s) (AR1) atom[74] (C29 ) is in 1 pure aromatic ring(s) (AR1) atom[75] (C30 ) is in 1 pure aromatic ring(s) (AR1) atom[76] (C31 ) is in 1 pure aromatic ring(s) (AR1) atom[77] (C32 ) is in 1 pure aromatic ring(s) (AR1) atom[78] (C33 ) is in 1 pure aromatic ring(s) (AR1) atom[97] (C37 ) is in 1 pure aromatic ring(s) (AR1) atom[98] (C38 ) is in 1 pure aromatic ring(s) (AR1) atom[99] (C39 ) is in 1 pure aromatic ring(s) (AR1) atom[100] (C40 ) is in 1 pure aromatic ring(s) (AR1) atom[101] (C41 ) is in 1 pure aromatic ring(s) (AR1) atom[102] (C42 ) is in 1 pure aromatic ring(s) (AR1) atom[121] (C46 ) is in 1 pure aromatic ring(s) (AR1) atom[122] (C47 ) is in 1 pure aromatic ring(s) (AR1) atom[123] (C48 ) is in 1 pure aromatic ring(s) (AR1) atom[124] (C49 ) is in 1 pure aromatic ring(s) (AR1) atom[125] (C50 ) is in 1 pure aromatic ring(s) (AR1) atom[126] (C51 ) is in 1 pure aromatic ring(s) (AR1) atom[145] (C55 ) is in 1 pure aromatic ring(s) (AR1) atom[146] (C56 ) is in 1 pure aromatic ring(s) (AR1) atom[147] (C57 ) is in 1 pure aromatic ring(s) (AR1) atom[148] (C58 ) is in 1 pure aromatic ring(s) (AR1) atom[149] (C59 ) is in 1 pure aromatic ring(s) (AR1) atom[150] (C60 ) is in 1 pure aromatic ring(s) (AR1) atom[169] (C64 ) is in 1 pure aromatic ring(s) (AR1) atom[170] (C65 ) is in 1 pure aromatic ring(s) (AR1) atom[171] (C66 ) is in 1 pure aromatic ring(s) (AR1) atom[172] (C67 ) is in 1 pure aromatic ring(s) (AR1) atom[173] (C68 ) is in 1 pure aromatic ring(s) (AR1) atom[174] (C69 ) is in 1 pure aromatic ring(s) (AR1) ==================================================================================== -------------------------------electronic property---------------------------------- atom [ 1] (C1 ) is not an electron-withdrew atom atom [ 2] (C2 ) is not an electron-withdrew atom atom [ 3] (C3 ) is not an electron-withdrew atom atom [ 4] (C4 ) is not an electron-withdrew atom atom [ 5] (C5 ) is not an electron-withdrew atom atom [ 6] (C6 ) is not an electron-withdrew atom atom [ 7] (C7 ) is not an electron-withdrew atom atom [ 8] (C8 ) is not an electron-withdrew atom atom [ 9] (C9 ) is not an electron-withdrew atom atom [10] (H1 ) is not an electron-withdrew atom atom [11] (H2 ) is not an electron-withdrew atom atom [12] (H3 ) is not an electron-withdrew atom atom [13] (O1 ) is an electron-withdrew atom atom [14] (O2 ) is an electron-withdrew atom atom [15] (O3 ) is an electron-withdrew atom atom [16] (N1 ) is an electron-withdrew atom atom [17] (N2 ) is an electron-withdrew atom atom [18] (N3 ) is an electron-withdrew atom atom [19] (H4 ) is not an electron-withdrew atom atom [20] (H5 ) is not an electron-withdrew atom atom [21] (H6 ) is not an electron-withdrew atom atom [22] (H7 ) is not an electron-withdrew atom atom [23] (H8 ) is not an electron-withdrew atom atom [24] (H9 ) is not an electron-withdrew atom atom [25] (C10 ) is not an electron-withdrew atom atom [26] (C11 ) is not an electron-withdrew atom atom [27] (C12 ) is not an electron-withdrew atom atom [28] (C13 ) is not an electron-withdrew atom atom [29] (C14 ) is not an electron-withdrew atom atom [30] (C15 ) is not an electron-withdrew atom atom [31] (C16 ) is not an electron-withdrew atom atom [32] (C17 ) is not an electron-withdrew atom atom [33] (C18 ) is not an electron-withdrew atom atom [34] (H10 ) is not an electron-withdrew atom atom [35] (H11 ) is not an electron-withdrew atom atom [36] (H12 ) is not an electron-withdrew atom atom [37] (O4 ) is an electron-withdrew atom atom [38] (O5 ) is an electron-withdrew atom atom [39] (O6 ) is an electron-withdrew atom atom [40] (N4 ) is an electron-withdrew atom atom [41] (N5 ) is an electron-withdrew atom atom [42] (N6 ) is an electron-withdrew atom atom [43] (H13 ) is not an electron-withdrew atom atom [44] (H14 ) is not an electron-withdrew atom atom [45] (H15 ) is not an electron-withdrew atom atom [46] (H16 ) is not an electron-withdrew atom atom [47] (H17 ) is not an electron-withdrew atom atom [48] (H18 ) is not an electron-withdrew atom atom [49] (C19 ) is not an electron-withdrew atom atom [50] (C20 ) is not an electron-withdrew atom atom [51] (C21 ) is not an electron-withdrew atom atom [52] (C22 ) is not an electron-withdrew atom atom [53] (C23 ) is not an electron-withdrew atom atom [54] (C24 ) is not an electron-withdrew atom atom [55] (C25 ) is not an electron-withdrew atom atom [56] (C26 ) is not an electron-withdrew atom atom [57] (C27 ) is not an electron-withdrew atom atom [58] (H19 ) is not an electron-withdrew atom atom [59] (H20 ) is not an electron-withdrew atom atom [60] (H21 ) is not an electron-withdrew atom atom [61] (O7 ) is an electron-withdrew atom atom [62] (O8 ) is an electron-withdrew atom atom [63] (O9 ) is an electron-withdrew atom atom [64] (N7 ) is an electron-withdrew atom atom [65] (N8 ) is an electron-withdrew atom atom [66] (N9 ) is an electron-withdrew atom atom [67] (H22 ) is not an electron-withdrew atom atom [68] (H23 ) is not an electron-withdrew atom atom [69] (H24 ) is not an electron-withdrew atom atom [70] (H25 ) is not an electron-withdrew atom atom [71] (H26 ) is not an electron-withdrew atom atom [72] (H27 ) is not an electron-withdrew atom atom [73] (C28 ) is not an electron-withdrew atom atom [74] (C29 ) is not an electron-withdrew atom atom [75] (C30 ) is not an electron-withdrew atom atom [76] (C31 ) is not an electron-withdrew atom atom [77] (C32 ) is not an electron-withdrew atom atom [78] (C33 ) is not an electron-withdrew atom atom [79] (C34 ) is not an electron-withdrew atom atom [80] (C35 ) is not an electron-withdrew atom atom [81] (C36 ) is not an electron-withdrew atom atom [82] (H28 ) is not an electron-withdrew atom atom [83] (H29 ) is not an electron-withdrew atom atom [84] (H30 ) is not an electron-withdrew atom atom [85] (O10 ) is an electron-withdrew atom atom [86] (O11 ) is an electron-withdrew atom atom [87] (O12 ) is an electron-withdrew atom atom [88] (N10 ) is an electron-withdrew atom atom [89] (N11 ) is an electron-withdrew atom atom [90] (N12 ) is an electron-withdrew atom atom [91] (H31 ) is not an electron-withdrew atom atom [92] (H32 ) is not an electron-withdrew atom atom [93] (H33 ) is not an electron-withdrew atom atom [94] (H34 ) is not an electron-withdrew atom atom [95] (H35 ) is not an electron-withdrew atom atom [96] (H36 ) is not an electron-withdrew atom atom [97] (C37 ) is not an electron-withdrew atom atom [98] (C38 ) is not an electron-withdrew atom atom [99] (C39 ) is not an electron-withdrew atom atom [100] (C40 ) is not an electron-withdrew atom atom [101] (C41 ) is not an electron-withdrew atom atom [102] (C42 ) is not an electron-withdrew atom atom [103] (C43 ) is not an electron-withdrew atom atom [104] (C44 ) is not an electron-withdrew atom atom [105] (C45 ) is not an electron-withdrew atom atom [106] (H37 ) is not an electron-withdrew atom atom [107] (H38 ) is not an electron-withdrew atom atom [108] (H39 ) is not an electron-withdrew atom atom [109] (O13 ) is an electron-withdrew atom atom [110] (O14 ) is an electron-withdrew atom atom [111] (O15 ) is an electron-withdrew atom atom [112] (N13 ) is an electron-withdrew atom atom [113] (N14 ) is an electron-withdrew atom atom [114] (N15 ) is an electron-withdrew atom atom [115] (H40 ) is not an electron-withdrew atom atom [116] (H41 ) is not an electron-withdrew atom atom [117] (H42 ) is not an electron-withdrew atom atom [118] (H43 ) is not an electron-withdrew atom atom [119] (H44 ) is not an electron-withdrew atom atom [120] (H45 ) is not an electron-withdrew atom atom [121] (C46 ) is not an electron-withdrew atom atom [122] (C47 ) is not an electron-withdrew atom atom [123] (C48 ) is not an electron-withdrew atom atom [124] (C49 ) is not an electron-withdrew atom atom [125] (C50 ) is not an electron-withdrew atom atom [126] (C51 ) is not an electron-withdrew atom atom [127] (C52 ) is not an electron-withdrew atom atom [128] (C53 ) is not an electron-withdrew atom atom [129] (C54 ) is not an electron-withdrew atom atom [130] (H46 ) is not an electron-withdrew atom atom [131] (H47 ) is not an electron-withdrew atom atom [132] (H48 ) is not an electron-withdrew atom atom [133] (O16 ) is an electron-withdrew atom atom [134] (O17 ) is an electron-withdrew atom atom [135] (O18 ) is an electron-withdrew atom atom [136] (N16 ) is an electron-withdrew atom atom [137] (N17 ) is an electron-withdrew atom atom [138] (N18 ) is an electron-withdrew atom atom [139] (H49 ) is not an electron-withdrew atom atom [140] (H50 ) is not an electron-withdrew atom atom [141] (H51 ) is not an electron-withdrew atom atom [142] (H52 ) is not an electron-withdrew atom atom [143] (H53 ) is not an electron-withdrew atom atom [144] (H54 ) is not an electron-withdrew atom atom [145] (C55 ) is not an electron-withdrew atom atom [146] (C56 ) is not an electron-withdrew atom atom [147] (C57 ) is not an electron-withdrew atom atom [148] (C58 ) is not an electron-withdrew atom atom [149] (C59 ) is not an electron-withdrew atom atom [150] (C60 ) is not an electron-withdrew atom atom [151] (C61 ) is not an electron-withdrew atom atom [152] (C62 ) is not an electron-withdrew atom atom [153] (C63 ) is not an electron-withdrew atom atom [154] (H55 ) is not an electron-withdrew atom atom [155] (H56 ) is not an electron-withdrew atom atom [156] (H57 ) is not an electron-withdrew atom atom [157] (O19 ) is an electron-withdrew atom atom [158] (O20 ) is an electron-withdrew atom atom [159] (O21 ) is an electron-withdrew atom atom [160] (N19 ) is an electron-withdrew atom atom [161] (N20 ) is an electron-withdrew atom atom [162] (N21 ) is an electron-withdrew atom atom [163] (H58 ) is not an electron-withdrew atom atom [164] (H59 ) is not an electron-withdrew atom atom [165] (H60 ) is not an electron-withdrew atom atom [166] (H61 ) is not an electron-withdrew atom atom [167] (H62 ) is not an electron-withdrew atom atom [168] (H63 ) is not an electron-withdrew atom atom [169] (C64 ) is not an electron-withdrew atom atom [170] (C65 ) is not an electron-withdrew atom atom [171] (C66 ) is not an electron-withdrew atom atom [172] (C67 ) is not an electron-withdrew atom atom [173] (C68 ) is not an electron-withdrew atom atom [174] (C69 ) is not an electron-withdrew atom atom [175] (C70 ) is not an electron-withdrew atom atom [176] (C71 ) is not an electron-withdrew atom atom [177] (C72 ) is not an electron-withdrew atom atom [178] (H64 ) is not an electron-withdrew atom atom [179] (H65 ) is not an electron-withdrew atom atom [180] (H66 ) is not an electron-withdrew atom atom [181] (O22 ) is an electron-withdrew atom atom [182] (O23 ) is an electron-withdrew atom atom [183] (O24 ) is an electron-withdrew atom atom [184] (N22 ) is an electron-withdrew atom atom [185] (N23 ) is an electron-withdrew atom atom [186] (N24 ) is an electron-withdrew atom atom [187] (H67 ) is not an electron-withdrew atom atom [188] (H68 ) is not an electron-withdrew atom atom [189] (H69 ) is not an electron-withdrew atom atom [190] (H70 ) is not an electron-withdrew atom atom [191] (H71 ) is not an electron-withdrew atom atom [192] (H72 ) is not an electron-withdrew atom ==================================================================================== --------------------------------connectivity property------------------------------- atom[ 1] (C1 ) 2 C2 atom[ 1] (C1 ) 6 C6 atom[ 1] (C1 ) 7 C7 atom[ 2] (C2 ) 1 C1 atom[ 2] (C2 ) 3 C3 atom[ 2] (C2 ) 11 H2 atom[ 3] (C3 ) 2 C2 atom[ 3] (C3 ) 4 C4 atom[ 3] (C3 ) 8 C8 atom[ 4] (C4 ) 3 C3 atom[ 4] (C4 ) 5 C5 atom[ 4] (C4 ) 12 H3 atom[ 5] (C5 ) 4 C4 atom[ 5] (C5 ) 6 C6 atom[ 5] (C5 ) 9 C9 atom[ 6] (C6 ) 1 C1 atom[ 6] (C6 ) 5 C5 atom[ 6] (C6 ) 10 H1 atom[ 7] (C7 ) 1 C1 atom[ 7] (C7 ) 13 O1 atom[ 7] (C7 ) 16 N1 atom[ 8] (C8 ) 3 C3 atom[ 8] (C8 ) 14 O2 atom[ 8] (C8 ) 17 N2 atom[ 9] (C9 ) 5 C5 atom[ 9] (C9 ) 15 O3 atom[ 9] (C9 ) 18 N3 atom[10] (H1 ) 6 C6 atom[11] (H2 ) 2 C2 atom[12] (H3 ) 4 C4 atom[13] (O1 ) 7 C7 atom[14] (O2 ) 8 C8 atom[15] (O3 ) 9 C9 atom[16] (N1 ) 7 C7 atom[16] (N1 ) 19 H4 atom[16] (N1 ) 20 H5 atom[17] (N2 ) 8 C8 atom[17] (N2 ) 21 H6 atom[17] (N2 ) 22 H7 atom[18] (N3 ) 9 C9 atom[18] (N3 ) 23 H8 atom[18] (N3 ) 24 H9 atom[19] (H4 ) 16 N1 atom[20] (H5 ) 16 N1 atom[21] (H6 ) 17 N2 atom[22] (H7 ) 17 N2 atom[23] (H8 ) 18 N3 atom[24] (H9 ) 18 N3 atom[25] (C10 ) 26 C11 atom[25] (C10 ) 30 C15 atom[25] (C10 ) 31 C16 atom[26] (C11 ) 25 C10 atom[26] (C11 ) 27 C12 atom[26] (C11 ) 35 H11 atom[27] (C12 ) 26 C11 atom[27] (C12 ) 28 C13 atom[27] (C12 ) 32 C17 atom[28] (C13 ) 27 C12 atom[28] (C13 ) 29 C14 atom[28] (C13 ) 36 H12 atom[29] (C14 ) 28 C13 atom[29] (C14 ) 30 C15 atom[29] (C14 ) 33 C18 atom[30] (C15 ) 25 C10 atom[30] (C15 ) 29 C14 atom[30] (C15 ) 34 H10 atom[31] (C16 ) 25 C10 atom[31] (C16 ) 37 O4 atom[31] (C16 ) 40 N4 atom[32] (C17 ) 27 C12 atom[32] (C17 ) 38 O5 atom[32] (C17 ) 41 N5 atom[33] (C18 ) 29 C14 atom[33] (C18 ) 39 O6 atom[33] (C18 ) 42 N6 atom[34] (H10 ) 30 C15 atom[35] (H11 ) 26 C11 atom[36] (H12 ) 28 C13 atom[37] (O4 ) 31 C16 atom[38] (O5 ) 32 C17 atom[39] (O6 ) 33 C18 atom[40] (N4 ) 31 C16 atom[40] (N4 ) 43 H13 atom[40] (N4 ) 44 H14 atom[41] (N5 ) 32 C17 atom[41] (N5 ) 45 H15 atom[41] (N5 ) 46 H16 atom[42] (N6 ) 33 C18 atom[42] (N6 ) 47 H17 atom[42] (N6 ) 48 H18 atom[43] (H13 ) 40 N4 atom[44] (H14 ) 40 N4 atom[45] (H15 ) 41 N5 atom[46] (H16 ) 41 N5 atom[47] (H17 ) 42 N6 atom[48] (H18 ) 42 N6 atom[49] (C19 ) 50 C20 atom[49] (C19 ) 54 C24 atom[49] (C19 ) 55 C25 atom[50] (C20 ) 49 C19 atom[50] (C20 ) 51 C21 atom[50] (C20 ) 59 H20 atom[51] (C21 ) 50 C20 atom[51] (C21 ) 52 C22 atom[51] (C21 ) 56 C26 atom[52] (C22 ) 51 C21 atom[52] (C22 ) 53 C23 atom[52] (C22 ) 60 H21 atom[53] (C23 ) 52 C22 atom[53] (C23 ) 54 C24 atom[53] (C23 ) 57 C27 atom[54] (C24 ) 49 C19 atom[54] (C24 ) 53 C23 atom[54] (C24 ) 58 H19 atom[55] (C25 ) 49 C19 atom[55] (C25 ) 61 O7 atom[55] (C25 ) 64 N7 atom[56] (C26 ) 51 C21 atom[56] (C26 ) 62 O8 atom[56] (C26 ) 65 N8 atom[57] (C27 ) 53 C23 atom[57] (C27 ) 63 O9 atom[57] (C27 ) 66 N9 atom[58] (H19 ) 54 C24 atom[59] (H20 ) 50 C20 atom[60] (H21 ) 52 C22 atom[61] (O7 ) 55 C25 atom[62] (O8 ) 56 C26 atom[63] (O9 ) 57 C27 atom[64] (N7 ) 55 C25 atom[64] (N7 ) 67 H22 atom[64] (N7 ) 68 H23 atom[65] (N8 ) 56 C26 atom[65] (N8 ) 69 H24 atom[65] (N8 ) 70 H25 atom[66] (N9 ) 57 C27 atom[66] (N9 ) 71 H26 atom[66] (N9 ) 72 H27 atom[67] (H22 ) 64 N7 atom[68] (H23 ) 64 N7 atom[69] (H24 ) 65 N8 atom[70] (H25 ) 65 N8 atom[71] (H26 ) 66 N9 atom[72] (H27 ) 66 N9 atom[73] (C28 ) 74 C29 atom[73] (C28 ) 78 C33 atom[73] (C28 ) 79 C34 atom[74] (C29 ) 73 C28 atom[74] (C29 ) 75 C30 atom[74] (C29 ) 83 H29 atom[75] (C30 ) 74 C29 atom[75] (C30 ) 76 C31 atom[75] (C30 ) 80 C35 atom[76] (C31 ) 75 C30 atom[76] (C31 ) 77 C32 atom[76] (C31 ) 84 H30 atom[77] (C32 ) 76 C31 atom[77] (C32 ) 78 C33 atom[77] (C32 ) 81 C36 atom[78] (C33 ) 73 C28 atom[78] (C33 ) 77 C32 atom[78] (C33 ) 82 H28 atom[79] (C34 ) 73 C28 atom[79] (C34 ) 85 O10 atom[79] (C34 ) 88 N10 atom[80] (C35 ) 75 C30 atom[80] (C35 ) 86 O11 atom[80] (C35 ) 89 N11 atom[81] (C36 ) 77 C32 atom[81] (C36 ) 87 O12 atom[81] (C36 ) 90 N12 atom[82] (H28 ) 78 C33 atom[83] (H29 ) 74 C29 atom[84] (H30 ) 76 C31 atom[85] (O10 ) 79 C34 atom[86] (O11 ) 80 C35 atom[87] (O12 ) 81 C36 atom[88] (N10 ) 79 C34 atom[88] (N10 ) 91 H31 atom[88] (N10 ) 92 H32 atom[89] (N11 ) 80 C35 atom[89] (N11 ) 93 H33 atom[89] (N11 ) 94 H34 atom[90] (N12 ) 81 C36 atom[90] (N12 ) 95 H35 atom[90] (N12 ) 96 H36 atom[91] (H31 ) 88 N10 atom[92] (H32 ) 88 N10 atom[93] (H33 ) 89 N11 atom[94] (H34 ) 89 N11 atom[95] (H35 ) 90 N12 atom[96] (H36 ) 90 N12 atom[97] (C37 ) 98 C38 atom[97] (C37 ) 102 C42 atom[97] (C37 ) 103 C43 atom[98] (C38 ) 97 C37 atom[98] (C38 ) 99 C39 atom[98] (C38 ) 107 H38 atom[99] (C39 ) 98 C38 atom[99] (C39 ) 100 C40 atom[99] (C39 ) 104 C44 atom[100] (C40 ) 99 C39 atom[100] (C40 ) 101 C41 atom[100] (C40 ) 108 H39 atom[101] (C41 ) 100 C40 atom[101] (C41 ) 102 C42 atom[101] (C41 ) 105 C45 atom[102] (C42 ) 97 C37 atom[102] (C42 ) 101 C41 atom[102] (C42 ) 106 H37 atom[103] (C43 ) 97 C37 atom[103] (C43 ) 109 O13 atom[103] (C43 ) 112 N13 atom[104] (C44 ) 99 C39 atom[104] (C44 ) 110 O14 atom[104] (C44 ) 113 N14 atom[105] (C45 ) 101 C41 atom[105] (C45 ) 111 O15 atom[105] (C45 ) 114 N15 atom[106] (H37 ) 102 C42 atom[107] (H38 ) 98 C38 atom[108] (H39 ) 100 C40 atom[109] (O13 ) 103 C43 atom[110] (O14 ) 104 C44 atom[111] (O15 ) 105 C45 atom[112] (N13 ) 103 C43 atom[112] (N13 ) 115 H40 atom[112] (N13 ) 116 H41 atom[113] (N14 ) 104 C44 atom[113] (N14 ) 117 H42 atom[113] (N14 ) 118 H43 atom[114] (N15 ) 105 C45 atom[114] (N15 ) 119 H44 atom[114] (N15 ) 120 H45 atom[115] (H40 ) 112 N13 atom[116] (H41 ) 112 N13 atom[117] (H42 ) 113 N14 atom[118] (H43 ) 113 N14 atom[119] (H44 ) 114 N15 atom[120] (H45 ) 114 N15 atom[121] (C46 ) 122 C47 atom[121] (C46 ) 126 C51 atom[121] (C46 ) 127 C52 atom[122] (C47 ) 121 C46 atom[122] (C47 ) 123 C48 atom[122] (C47 ) 131 H47 atom[123] (C48 ) 122 C47 atom[123] (C48 ) 124 C49 atom[123] (C48 ) 128 C53 atom[124] (C49 ) 123 C48 atom[124] (C49 ) 125 C50 atom[124] (C49 ) 132 H48 atom[125] (C50 ) 124 C49 atom[125] (C50 ) 126 C51 atom[125] (C50 ) 129 C54 atom[126] (C51 ) 121 C46 atom[126] (C51 ) 125 C50 atom[126] (C51 ) 130 H46 atom[127] (C52 ) 121 C46 atom[127] (C52 ) 133 O16 atom[127] (C52 ) 136 N16 atom[128] (C53 ) 123 C48 atom[128] (C53 ) 134 O17 atom[128] (C53 ) 137 N17 atom[129] (C54 ) 125 C50 atom[129] (C54 ) 135 O18 atom[129] (C54 ) 138 N18 atom[130] (H46 ) 126 C51 atom[131] (H47 ) 122 C47 atom[132] (H48 ) 124 C49 atom[133] (O16 ) 127 C52 atom[134] (O17 ) 128 C53 atom[135] (O18 ) 129 C54 atom[136] (N16 ) 127 C52 atom[136] (N16 ) 139 H49 atom[136] (N16 ) 140 H50 atom[137] (N17 ) 128 C53 atom[137] (N17 ) 141 H51 atom[137] (N17 ) 142 H52 atom[138] (N18 ) 129 C54 atom[138] (N18 ) 143 H53 atom[138] (N18 ) 144 H54 atom[139] (H49 ) 136 N16 atom[140] (H50 ) 136 N16 atom[141] (H51 ) 137 N17 atom[142] (H52 ) 137 N17 atom[143] (H53 ) 138 N18 atom[144] (H54 ) 138 N18 atom[145] (C55 ) 146 C56 atom[145] (C55 ) 150 C60 atom[145] (C55 ) 151 C61 atom[146] (C56 ) 145 C55 atom[146] (C56 ) 147 C57 atom[146] (C56 ) 155 H56 atom[147] (C57 ) 146 C56 atom[147] (C57 ) 148 C58 atom[147] (C57 ) 152 C62 atom[148] (C58 ) 147 C57 atom[148] (C58 ) 149 C59 atom[148] (C58 ) 156 H57 atom[149] (C59 ) 148 C58 atom[149] (C59 ) 150 C60 atom[149] (C59 ) 153 C63 atom[150] (C60 ) 145 C55 atom[150] (C60 ) 149 C59 atom[150] (C60 ) 154 H55 atom[151] (C61 ) 145 C55 atom[151] (C61 ) 157 O19 atom[151] (C61 ) 160 N19 atom[152] (C62 ) 147 C57 atom[152] (C62 ) 158 O20 atom[152] (C62 ) 161 N20 atom[153] (C63 ) 149 C59 atom[153] (C63 ) 159 O21 atom[153] (C63 ) 162 N21 atom[154] (H55 ) 150 C60 atom[155] (H56 ) 146 C56 atom[156] (H57 ) 148 C58 atom[157] (O19 ) 151 C61 atom[158] (O20 ) 152 C62 atom[159] (O21 ) 153 C63 atom[160] (N19 ) 151 C61 atom[160] (N19 ) 163 H58 atom[160] (N19 ) 164 H59 atom[161] (N20 ) 152 C62 atom[161] (N20 ) 165 H60 atom[161] (N20 ) 166 H61 atom[162] (N21 ) 153 C63 atom[162] (N21 ) 167 H62 atom[162] (N21 ) 168 H63 atom[163] (H58 ) 160 N19 atom[164] (H59 ) 160 N19 atom[165] (H60 ) 161 N20 atom[166] (H61 ) 161 N20 atom[167] (H62 ) 162 N21 atom[168] (H63 ) 162 N21 atom[169] (C64 ) 170 C65 atom[169] (C64 ) 174 C69 atom[169] (C64 ) 175 C70 atom[170] (C65 ) 169 C64 atom[170] (C65 ) 171 C66 atom[170] (C65 ) 179 H65 atom[171] (C66 ) 170 C65 atom[171] (C66 ) 172 C67 atom[171] (C66 ) 176 C71 atom[172] (C67 ) 171 C66 atom[172] (C67 ) 173 C68 atom[172] (C67 ) 180 H66 atom[173] (C68 ) 172 C67 atom[173] (C68 ) 174 C69 atom[173] (C68 ) 177 C72 atom[174] (C69 ) 169 C64 atom[174] (C69 ) 173 C68 atom[174] (C69 ) 178 H64 atom[175] (C70 ) 169 C64 atom[175] (C70 ) 181 O22 atom[175] (C70 ) 184 N22 atom[176] (C71 ) 171 C66 atom[176] (C71 ) 182 O23 atom[176] (C71 ) 185 N23 atom[177] (C72 ) 173 C68 atom[177] (C72 ) 183 O24 atom[177] (C72 ) 186 N24 atom[178] (H64 ) 174 C69 atom[179] (H65 ) 170 C65 atom[180] (H66 ) 172 C67 atom[181] (O22 ) 175 C70 atom[182] (O23 ) 176 C71 atom[183] (O24 ) 177 C72 atom[184] (N22 ) 175 C70 atom[184] (N22 ) 187 H67 atom[184] (N22 ) 188 H68 atom[185] (N23 ) 176 C71 atom[185] (N23 ) 189 H69 atom[185] (N23 ) 190 H70 atom[186] (N24 ) 177 C72 atom[186] (N24 ) 191 H71 atom[186] (N24 ) 192 H72 atom[187] (H67 ) 184 N22 atom[188] (H68 ) 184 N22 atom[189] (H69 ) 185 N23 atom[190] (H70 ) 185 N23 atom[191] (H71 ) 186 N24 atom[192] (H72 ) 186 N24 ----------------------------------------END-----------------------------------------