Run semi-empirical minimization &qmmm qm_theory='AM1', grms_tol=0.02, diag_routine=5, tight_p_conv=0, scfconv=1.d-8, qmcharge=-4, / 15 PG -2.3690 -10.9150 -3.1550 8 O1G -2.4140 -11.2690 -1.7180 8 O2G -3.4000 -9.9900 -3.6740 8 O3G -2.5510 -12.2940 -3.9650 7 N3B -0.8850 -10.2010 -3.4360 15 PB -0.2750 -8.9700 -2.4880 8 O1B 0.4910 -8.0730 -3.3830 8 O2B -1.4150 -8.3940 -1.7390 8 O3A 0.7680 -9.5030 -1.3830 15 PA 2.0430 -10.4710 -1.5560 8 O1A 2.3010 -10.6430 -3.0030 8 O2A 1.8420 -11.6590 -0.6970 8 O5' 3.2390 -9.5940 -0.9310 6 C5' 4.4920 -10.2030 -0.6010 6 C4' 4.4840 -10.7970 0.8070 8 O4' 5.5440 -10.2280 1.6030 6 C3' 3.1640 -10.5190 1.5080 8 O3' 2.4990 -11.7410 1.8460 6 C2' 3.4940 -9.7280 2.7470 8 O2' 2.9840 -10.3770 3.9160 6 C1' 5.0090 -9.6270 2.8000 7 N9 5.4390 -8.2210 2.9180 6 C8 5.5810 -7.2760 1.9550 7 N7 5.9850 -6.1030 2.3160 6 C5 6.1380 -6.2670 3.6960 6 C6 6.5640 -5.3340 4.6970 8 O6 6.8950 -4.1580 4.5460 7 N1 6.5820 -5.9060 5.9790 6 C2 6.2310 -7.2190 6.2710 7 N2 6.3080 -7.5850 7.5500 7 N3 5.8280 -8.1020 5.3320 6 C4 5.8040 -7.5670 4.0750 1 HNB3 -0.3490 -10.5190 -4.1930 1 H5'2 5.2790 -9.4510 -0.6640 1 H5'1 4.7000 -10.9960 -1.3190 1 H4' 4.6320 -11.8740 0.7400 1 H3' 2.5290 -9.9200 0.8570 1 HO3' 3.1160 -12.2690 2.3580 1 H2' 3.0670 -8.7270 2.6620 1 HO2' 2.4750 -11.1360 3.6220 1 H1' 5.3680 -10.1790 3.6640 1 H8 5.3620 -7.4990 0.9100 1 HN1 6.8680 -5.3180 6.7100 1 HN21 6.6100 -6.9200 8.2480 1 HN22 6.0640 -8.5270 7.8220