@MOLECULE C8H17N3O2 30 29 0 0 0 SMALL GASTEIGER **** @ATOM 1 N -3.5901 0.9968 0.6281 N.am 1 LIG1 -0.3171 2 H -3.0903 1.3647 1.3736 H 1 LIG1 0.1484 3 C -3.1259 -0.0867 -0.0253 C.2 1 LIG1 0.2296 4 O -3.7508 -0.5467 -0.9574 O.2 1 LIG1 -0.2741 5 C -1.8302 -0.7267 0.4022 C.3 1 LIG1 0.0823 6 N -1.7750 -2.1051 -0.1026 N.3 1 LIG1 -0.3199 7 H -1.8280 -2.1237 -1.1100 H 1 LIG1 0.1189 8 H -0.9453 -2.5770 0.2246 H 1 LIG1 0.1189 9 C -0.6552 0.0719 -0.1656 C.3 1 LIG1 -0.0278 10 C 0.6580 -0.5028 0.3694 C.3 1 LIG1 -0.0355 11 C 1.8330 0.2958 -0.1984 C.3 1 LIG1 0.0116 12 N 3.0904 -0.2544 0.3139 N.am 1 LIG1 -0.3155 13 C 4.2654 0.2936 -0.0542 C.2 1 LIG1 0.2099 14 O 4.2818 1.2423 -0.8096 O.2 1 LIG1 -0.2761 15 C 5.5588 -0.2724 0.4728 C.3 1 LIG1 0.0121 16 H 3.0773 -1.0132 0.9180 H 1 LIG1 0.1487 17 C -4.8527 1.6153 0.2163 C.3 1 LIG1 0.0001 18 H -1.7712 -0.7357 1.4906 H 1 LIG1 0.0554 19 H -0.6637 0.0068 -1.2536 H 1 LIG1 0.0285 20 H -0.7451 1.1153 0.1367 H 1 LIG1 0.0285 21 H 0.6665 -0.4377 1.4574 H 1 LIG1 0.0281 22 H 0.7479 -1.5462 0.0671 H 1 LIG1 0.0281 23 H 1.8245 0.2307 -1.2865 H 1 LIG1 0.0462 24 H 1.7431 1.3392 0.1039 H 1 LIG1 0.0462 25 H 5.3454 -1.1143 1.1314 H 1 LIG1 0.0322 26 H 6.1740 -0.6104 -0.3612 H 1 LIG1 0.0322 27 H 6.0926 0.4980 1.0292 H 1 LIG1 0.0322 28 H -4.7729 1.9502 -0.8179 H 1 LIG1 0.0426 29 H -5.6589 0.8866 0.3010 H 1 LIG1 0.0426 30 H -5.0657 2.4692 0.8594 H 1 LIG1 0.0426 @BOND 1 1 2 1 2 1 3 am 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 5 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 am 13 13 14 2 14 13 15 1 15 12 16 1 16 1 17 1 17 5 18 1 18 9 19 1 19 9 20 1 20 10 21 1 21 10 22 1 22 11 23 1 23 11 24 1 24 15 25 1 25 15 26 1 26 15 27 1 27 17 28 1 28 17 29 1 29 17 30 1