@MOLECULE 1kim_THM 17 18 0 0 0 SMALL GASTEIGER Energy = 0 @ATOM 1 O5' 49.8620 81.4890 53.3950 O.3 1 THM1 -0.2176 2 C5' 50.6530 82.6960 53.1460 C.3 1 THM1 0.2141 3 C4' 50.2100 83.8730 53.9780 C.3 1 THM1 0.1804 4 O4' 48.8690 84.3150 53.7850 O.3 1 THM1 -0.3325 5 C3' 50.0970 83.5000 55.4340 C.3 1 THM1 0.1860 6 O3' 50.1920 84.7150 56.1060 O.3 1 THM1 -0.2203 7 C2' 48.6470 83.0620 55.5660 C.3 1 THM1 0.0895 8 C1' 47.8840 84.1120 54.8510 C.3 1 THM1 0.2107 9 N1 46.5950 83.7900 54.2130 N.ar 1 THM1 -0.2559 10 C2 45.5000 84.4820 54.5160 C.ar 1 THM1 0.3545 11 O2 45.4190 85.3720 55.3520 O.2 1 THM1 -0.2443 12 N3 44.3790 84.1180 53.7800 N.ar 1 THM1 -0.1533 13 C4 44.2580 83.0990 52.8250 C.ar 1 THM1 0.2804 14 O4 43.1510 82.8440 52.3020 O.2 1 THM1 -0.2654 15 C5 45.4650 82.4340 52.6150 C.ar 1 THM1 0.0534 16 C5M 45.5600 81.2770 51.6420 C.3 1 THM1 0.0377 17 C6 46.5560 82.7900 53.3050 C.ar 1 THM1 0.0824 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 4 8 1 6 5 6 1 7 5 7 1 8 7 8 1 9 8 9 1 10 9 10 ar 11 9 17 ar 12 10 11 2 13 10 12 ar 14 12 13 ar 15 13 14 2 16 13 15 ar 17 15 16 1 18 15 17 ar