@MOLECULE 2-nitrophenyl beta-d-galactopyranoside 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5870 -0.6117 0.0340 O.3 1 UNL11111111111 -0.4682 2 O 0.6954 0.9423 1.0174 O.3 1 UNL11111111111 -0.3583 3 O -4.0103 1.6339 0.7312 O.3 1 UNL11111111111 -0.5366 4 O -4.1489 -1.0670 -0.2748 O.3 1 UNL11111111111 -0.5493 5 O -1.4421 2.1138 -0.2293 O.3 1 UNL11111111111 -0.5440 6 O -0.9690 -3.2414 -1.3108 O.3 1 UNL11111111111 -0.5327 7 O 1.2402 1.2095 -1.8145 O.2 1 UNL11111111111 -0.4014 8 O 3.1568 2.1251 -1.4970 O.2 1 UNL11111111111 -0.3796 9 N 2.3068 1.2955 -1.2296 N.pl3 1 UNL11111111111 0.6458 10 C -2.9789 0.6988 0.8896 C.3 1 UNL11111111111 0.0511 11 C -2.9855 -0.2691 -0.3102 C.3 1 UNL11111111111 0.0509 12 C -1.6022 1.3937 0.9654 C.3 1 UNL11111111111 0.0408 13 C -1.8228 -1.2765 -0.2030 C.3 1 UNL11111111111 0.0557 14 C -0.5567 0.2747 1.1287 C.3 1 UNL11111111111 0.2587 15 C -1.5672 -1.9869 -1.5420 C.3 1 UNL11111111111 -0.0168 16 C 1.7685 0.1054 0.8902 C.ar 1 UNL11111111111 0.2898 17 C 2.6225 0.3208 -0.1978 C.ar 1 UNL11111111111 -0.1434 18 C 2.0794 -0.8447 1.8650 C.ar 1 UNL11111111111 -0.2529 19 C 3.8112 -0.4108 -0.3029 C.ar 1 UNL11111111111 -0.0574 20 C 3.2512 -1.5821 1.7375 C.ar 1 UNL11111111111 -0.0605 21 C 4.1120 -1.3676 0.6567 C.ar 1 UNL11111111111 -0.1943 22 H -3.2484 0.1863 1.8403 H 1 UNL11111111111 0.1567 23 H -2.9714 0.2863 -1.2750 H 1 UNL11111111111 0.1525 24 H -1.5511 2.1548 1.7755 H 1 UNL11111111111 0.1684 25 H -1.9982 -2.0096 0.6153 H 1 UNL11111111111 0.1535 26 H -0.6162 -0.2887 2.0794 H 1 UNL11111111111 0.1252 27 H -0.9232 -1.3805 -2.2090 H 1 UNL11111111111 0.1433 28 H -2.5164 -2.2430 -2.0534 H 1 UNL11111111111 0.1681 29 H -3.7612 2.2978 0.0436 H 1 UNL11111111111 0.3403 30 H -4.9382 -0.4998 -0.1017 H 1 UNL11111111111 0.3385 31 H -0.6777 1.7600 -0.7530 H 1 UNL11111111111 0.3608 32 H -0.0932 -3.1186 -0.8937 H 1 UNL11111111111 0.3140 33 H 1.4227 -0.9945 2.7183 H 1 UNL11111111111 0.1735 34 H 4.4916 -0.2253 -1.1402 H 1 UNL11111111111 0.1810 35 H 3.5035 -2.3329 2.4884 H 1 UNL11111111111 0.1583 36 H 5.0264 -1.9536 0.5675 H 1 UNL11111111111 0.1684 @BOND 1 1 13 1 2 1 14 1 3 2 14 1 4 2 16 1 5 3 10 1 6 3 29 1 7 4 11 1 8 4 30 1 9 5 12 1 10 5 31 1 11 6 15 1 12 6 32 1 13 7 9 2 14 8 9 2 15 9 17 1 16 10 11 1 17 10 12 1 18 10 22 1 19 11 13 1 20 11 23 1 21 12 14 1 22 12 24 1 23 13 15 1 24 13 25 1 25 14 26 1 26 15 27 1 27 15 28 1 28 16 17 ar 29 16 18 ar 30 17 19 ar 31 18 20 ar 32 18 33 1 33 19 21 ar 34 19 34 1 35 20 21 ar 36 20 35 1 37 21 36 1