Run semi-empirical minimization
 &qmmm
  sqm.in  qmcharge=0,
 /
   6    C1        5.0870       -2.1960        0.7800 
   6    C2        6.4190       -2.1210        0.3500 
   6    C3        6.9920       -3.1630       -0.3660 
   6    C4        6.2190       -4.3020       -0.6620 
   6    C5        4.8870       -4.3890       -0.2400 
   6    C6        4.3320       -3.3330        0.4810 
   6    C7       -7.4230       -1.4010        0.8710 
   7    N8       -8.5010       -1.4790       -0.0110 
   6    C9       -8.4030       -1.1620       -1.3750 
   7   N10       -7.1590       -0.7480       -1.8720 
   6   C11       -6.0030       -0.6310       -1.0890 
   6   C12       -6.0960       -0.9800        0.3430 
   8   O13       -7.6170       -1.6910        2.0660 
   8   O14       -9.3980       -1.2470       -2.1240 
   8   O15       -4.9770       -0.2260       -1.6630 
   6   C16       -5.0840       -0.9130        1.2450 
   6   C17       -3.6860       -0.5950        1.0900 
   6   C18       -2.9100       -0.9870       -0.0080 
   6   C19       -1.5550       -0.6920       -0.0720 
   6   C20       -0.9100        0.0220        0.9670 
   6   C21       -1.7020        0.4080        2.0830 
   6   C22       -3.0470        0.0940        2.1410 
   7   N23        0.4750        0.2740        0.9630 
   6   C24        2.9750        3.2970       -0.4280 
   6   C25        2.8330        4.7820       -0.5090 
   6   C26        3.7080        5.5970        0.2180 
   6   C27        3.6150        6.9840        0.1220 
   6   C28        2.6470        7.5660       -0.6970 
   6   C29        1.7720        6.7570       -1.4220 
   6   C30        1.8650        5.3690       -1.3300 
   6   C31        6.1290       -6.4500       -1.6830 
   6   C32        4.5050       -1.0850        1.5890 
   6   C33        0.9120        1.6050        1.3250 
   6   C34        0.7610        2.6920        0.2490 
   8   O35        1.7790        2.5920       -0.7400 
   6   C36        1.2530       -0.4180       -0.0470 
   6   C37        2.7740       -0.3730        0.1250 
   8   O38        3.1050       -0.9160        1.4000 
   8   O39        6.8790       -5.2800       -1.3800 
   1   H40       -9.3940       -1.7670        0.3300 
   1   H41       -7.1130       -0.5080       -2.8400 
   1   H42       -5.3660       -1.1290        2.3040 
   1   H43       -3.3770       -1.5360       -0.8420 
   1   H44       -0.9970       -1.0150       -0.9640 
   1   H45       -1.2470        0.9400        2.9330 
   1   H46       -3.6310        0.3930        3.0270 
   1   H47        3.3480        2.9940        0.5880 
   1   H48        3.6980        2.9390       -1.2150 
   1   H49        4.4710        5.1410        0.8660 
   1   H50        4.3070        7.6200        0.6940 
   1   H51        2.5750        8.6610       -0.7710 
   1   H52        1.0080        7.2130       -2.0690 
   1   H53        1.1790        4.7230       -1.8990 
   1   H54        5.8030       -6.9630       -0.7460 
   1   H55        6.8570       -7.0860       -2.2480 
   1   H56        5.2470       -6.2000       -2.3200 
   1   H57        5.0400       -0.1200        1.3760 
   1   H58        4.5880       -1.3260        2.6870 
   1   H59        7.0190       -1.2280        0.5830 
   1   H60        8.0360       -3.1150       -0.7060 
   1   H61        4.2760       -5.2730       -0.4660 
   1   H62        3.2850       -3.3860        0.8210 
   1   H63        1.9960        1.5280        1.6240 
   1   H64        0.3330        1.9430        2.2290 
   1   H65        0.7780        3.7020        0.7370 
   1   H66       -0.1960        2.5710       -0.3280 
   1   H67        1.0450        0.0080       -1.0740 
   1   H68        0.9400       -1.5020       -0.0230 
   1   H69        3.1680        0.6770        0.0450 
   1   H70        3.2350       -1.0000       -0.6860 

