-- The Main Chain Of The Molecule -- MAIN ATOM 1 32 MAIN ATOM 2 18 MAIN ATOM 3 26 MAIN ATOM 4 1 MAIN ATOM 5 11 MAIN ATOM 6 19 MAIN ATOM 7 28 MAIN ATOM 8 15 MAIN ATOM 9 23 MAIN ATOM 10 30 MAIN ATOM 11 20 MAIN ATOM 12 17 MAIN ATOM 13 34 -- The New Coordinates -- 0 DU -1 -1 -1 -1 0 0 -1 12 0.000000 0.000000 0.000000 0.000000 -1 1 DU -1 -1 -1 -1 0 0 -1 13 1.449000 0.000000 0.000001 0.000000 0 2 DU -1 -1 -1 -1 0 0 -1 14 2.000000 1.420000 -0.000001 0.000000 1 3 O2 4 -1 -1 -1 1 1 31 7 3.540000 1.420000 0.000000 0.000000 2 4 C5 6 3 5 -1 1 3 17 8 4.516000 1.843000 -0.653000 0.000000 34 5 O3 4 -1 -1 -1 -1 1 32 9 4.940000 3.012000 -0.708000 0.000000 20 6 C9 12 7 4 11 1 4 25 10 5.029000 0.790000 -1.582000 0.000000 20 7 N 8 9 10 6 -1 4 3 23 3.950000 -0.235000 -1.505000 0.000000 28 8 HN1 7 -1 -1 -1 -1 1 4 24 4.300000 -0.953000 -2.139000 0.000000 6 9 HN2 7 -1 -1 -1 -1 1 5 25 3.012000 0.107000 -1.713000 0.000000 6 10 HN3 7 -1 -1 -1 -1 1 6 15 3.726000 -0.559000 -0.564000 0.000000 6 11 H7 6 -1 -1 -1 -1 1 26 16 5.985000 0.369000 -1.192000 0.000000 28 12 C 13 14 15 6 1 4 0 17 5.176000 1.139000 -3.068000 0.000000 28 13 HC1 12 -1 -1 -1 -1 1 1 26 5.167000 2.243000 -3.222000 0.000000 3 14 HC2 12 -1 -1 -1 -1 1 2 22 4.254000 0.870000 -3.635000 0.000000 3 15 C2 12 16 17 18 1 4 10 27 6.421000 0.504000 -3.708000 0.000000 3 16 H2 15 -1 -1 -1 -1 1 11 35 6.881000 1.196000 -4.451000 0.000000 13 17 H5 15 -1 -1 -1 -1 1 12 4 7.257000 0.442000 -2.973000 0.000000 13 18 C6 15 19 20 -1 1 3 18 18 6.147000 -0.859000 -4.334000 0.000000 13 19 O1 18 -1 -1 -1 -1 1 24 32 6.699000 -1.211000 -5.347000 0.000000 21 20 N1 22 18 21 -1 1 3 27 33 5.240000 -1.607000 -3.631000 0.000000 21 21 HN 20 -1 -1 -1 -1 1 28 34 4.785000 -1.150000 -2.841000 0.000000 30 22 C3 23 27 28 20 1 4 14 28 4.853000 -3.003000 -3.898000 0.000000 30 23 C1 24 25 26 22 -1 4 7 29 5.992000 -3.989000 -4.230000 0.000000 17 24 H1 23 -1 -1 -1 -1 1 8 19 5.618000 -4.855000 -4.825000 0.000000 10 25 H4 23 -1 -1 -1 -1 1 9 6 6.698000 -3.556000 -4.976000 0.000000 10 26 S 23 -1 -1 -1 -1 1 13 11 6.869000 -4.544000 -2.731000 0.000000 10 27 HC 22 -1 -1 -1 -1 1 15 20 4.210000 -2.968000 -4.808000 0.000000 17 28 C8 22 29 30 -1 1 3 22 21 3.938000 -3.469000 -2.763000 0.000000 17 29 O 28 -1 -1 -1 -1 1 23 30 3.267000 -2.680000 -2.146000 0.000000 25 30 N2 32 28 31 -1 1 3 29 31 3.957000 -4.815000 -2.545000 0.000000 25 31 H8 30 -1 -1 -1 -1 1 30 3 4.769000 -5.351000 -2.851000 0.000000 32 32 C7 35 33 34 30 1 4 19 5 2.856000 -5.518000 -1.888000 0.000000 32 33 H3 32 -1 -1 -1 -1 1 20 37 2.207000 -4.850000 -1.275000 0.000000 22 34 H6 32 -1 -1 -1 -1 1 21 36 2.067000 -5.865000 -2.595000 0.000000 22 35 C4 32 37 36 -1 1 3 16 -1 3.490000 -6.648000 -1.087000 0.000000 22 36 O5 35 -1 -1 -1 -1 1 34 -1 4.669000 -6.940000 -1.398000 0.000000 19 37 O4 35 -1 -1 -1 1 1 33 -1 2.830000 -7.176000 -0.166000 0.000000 19