Run semi-empirical minimization &qmmm qm_theory='AM1', grms_tol=0.0005, scfconv=1.d-10, ndiis_attempts=700, qmcharge=0, / 7 N1 21.0910 28.7350 14.0670 6 C2 20.5400 27.5660 14.5190 6 C3 19.1880 27.3330 14.2100 6 C4 18.6260 26.1600 14.6750 6 C5 19.3840 25.2160 15.3450 6 C6 20.7110 25.4230 15.7210 6 C7 21.2630 26.6460 15.2920 16 S8 18.4500 23.7990 15.9930 8 O9 17.2570 23.4660 15.0690 8 O10 19.4810 22.6380 16.2400 7 N11 17.7940 24.1570 17.5840 6 C12 18.7830 24.4260 18.6320 6 C13 18.4000 23.8560 20.0060 6 C14 18.3680 22.3520 19.8930 6 C15 19.5030 24.3350 20.9200 6 C16 16.5050 24.8940 17.5640 6 C17 15.3940 23.9640 18.1580 8 O18 14.2320 24.7640 18.4090 6 C19 15.0130 22.8280 17.1770 7 N20 14.1320 21.9410 17.8870 6 C21 14.4880 20.6750 18.2230 8 O22 15.5870 20.0860 17.9550 8 O23 13.4210 20.0660 18.9520 6 C24 13.5050 18.6020 19.1020 6 C25 12.8390 18.3510 20.4850 8 O26 11.4120 18.4700 20.2840 6 C27 11.2200 17.9780 18.9680 8 O28 10.2970 18.8060 18.2910 6 C29 11.0420 19.4440 17.2410 6 C30 12.1310 18.4320 16.8180 6 C31 12.4700 17.8870 18.2130 6 C32 14.2940 23.2850 15.8960 6 C33 12.5490 21.7500 14.8810 6 C34 12.1480 20.6610 14.0690 6 C35 13.1190 19.9330 13.3910 6 C36 14.4710 20.2400 13.5170 6 C37 14.8600 21.3260 14.3140 6 C38 13.9020 22.1140 14.9680 1 H 20.5520 29.3570 13.5260 1 H1 22.0260 28.9540 14.2830 1 H2 18.6380 28.0100 13.6590 1 H3 17.6210 25.9840 14.5200 1 H4 21.2470 24.7340 16.2710 1 H5 22.2340 26.8730 15.5560 1 H6 18.8950 25.4860 18.7260 1 H7 19.6910 23.9430 18.3360 1 H8 17.4420 24.1650 20.3700 1 H9 19.3120 22.0010 19.5300 1 H10 17.5950 22.0620 19.2130 1 H11 18.1750 21.9260 20.8550 1 H12 20.4490 24.0150 20.5360 1 H13 19.3580 23.9260 21.8980 1 H14 19.4830 25.4030 20.9740 1 H15 16.2550 25.1580 16.5580 1 H16 16.5840 25.7890 18.1450 1 H17 15.7660 23.5160 19.0550 1 H18 13.9220 25.1540 17.5770 1 H19 15.9270 22.3750 16.8540 1 H20 13.2370 22.2640 18.1390 1 H21 14.5100 18.2830 18.9190 1 H22 13.1740 19.0790 21.1940 1 H23 13.0960 17.3850 20.8670 1 H24 10.8350 16.9820 19.0450 1 H25 10.4010 19.6690 16.4140 1 H26 11.4710 20.3680 17.5690 1 H27 12.9690 18.9090 16.3540 1 H28 11.8390 17.7060 16.0880 1 H29 12.9070 16.9310 18.0130 1 H30 13.4050 23.8110 16.1740 1 H31 14.9750 23.9070 15.3530 1 H32 11.8410 22.2800 15.4130 1 H33 11.1500 20.4120 13.9820 1 H34 12.8320 19.1500 12.7830 1 H35 15.1810 19.6730 13.0280 1 H36 15.8620 21.5480 14.4200