@MOLECULE 3-{[(2-chloroethyl)(nitroso)carbamoyl]amino}-3-deoxy-beta-d-allopyranose 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.0182 0.5085 0.4535 Cl 1 UNL111111111 -0.1391 2 O 3.6661 -0.3092 -0.3688 O.3 1 UNL111111111 -0.4358 3 O 2.7462 1.8413 1.3381 O.3 1 UNL111111111 -0.5172 4 O 2.7006 2.1439 -1.8319 O.3 1 UNL111111111 -0.5099 5 O 2.1809 -1.3695 -1.7908 O.3 1 UNL111111111 -0.6019 6 O 4.6595 -1.7818 1.7938 O.3 1 UNL111111111 -0.5178 7 O -1.3937 1.4024 0.8178 O.2 1 UNL111111111 -0.5071 8 O -2.8388 -2.5107 -0.7711 O.2 1 UNL111111111 -0.2115 9 N 0.0356 0.1187 -0.4173 N.am 1 UNL111111111 -0.5962 10 N -2.1974 -0.6090 0.0515 N.am 1 UNL111111111 -0.4462 11 N -1.9534 -1.7270 -0.6544 N.2 1 UNL111111111 0.2110 12 C 1.1457 1.0695 -0.3021 C.3 1 UNL111111111 0.0026 13 C 1.9599 0.7360 0.9783 C.3 1 UNL111111111 0.0636 14 C 1.9799 0.9646 -1.6030 C.3 1 UNL111111111 0.0522 15 C 2.8496 -0.5016 0.7807 C.3 1 UNL111111111 0.0038 16 C 2.9673 -0.2241 -1.5770 C.3 1 UNL111111111 0.2951 17 C 3.8462 -0.6437 1.9392 C.3 1 UNL111111111 -0.0211 18 C -1.1656 0.3933 0.1848 C.2 1 UNL111111111 0.7178 19 C -3.4953 -0.3220 0.6959 C.3 1 UNL111111111 -0.1167 20 C -4.4253 0.3523 -0.3102 C.3 1 UNL111111111 -0.2065 21 H 0.7538 2.1252 -0.2007 H 1 UNL111111111 0.2029 22 H 1.2739 0.6255 1.8541 H 1 UNL111111111 0.1725 23 H 1.3095 0.9136 -2.4999 H 1 UNL111111111 0.1843 24 H 2.2428 -1.4240 0.6446 H 1 UNL111111111 0.1436 25 H 3.7776 -0.1546 -2.3361 H 1 UNL111111111 0.1490 26 H 0.2316 -0.7503 -0.9106 H 1 UNL111111111 0.3543 27 H 4.5828 0.1854 1.9520 H 1 UNL111111111 0.1665 28 H 3.3217 -0.6894 2.9114 H 1 UNL111111111 0.1333 29 H 3.4868 1.9604 0.7054 H 1 UNL111111111 0.3119 30 H 3.4370 2.2455 -1.1888 H 1 UNL111111111 0.3138 31 H 2.7103 -2.1906 -1.6882 H 1 UNL111111111 0.3489 32 H 4.1223 -2.5850 1.6506 H 1 UNL111111111 0.3045 33 H -3.3300 0.3360 1.5875 H 1 UNL111111111 0.1881 34 H -3.9286 -1.2767 1.0822 H 1 UNL111111111 0.1712 35 H -4.0845 1.3674 -0.5797 H 1 UNL111111111 0.1707 36 H -4.5643 -0.2402 -1.2301 H 1 UNL111111111 0.1650 @BOND 1 1 20 1 2 2 15 1 3 2 16 1 4 3 13 1 5 3 29 1 6 4 14 1 7 4 30 1 8 5 16 1 9 5 31 1 10 6 17 1 11 6 32 1 12 7 18 2 13 8 11 2 14 9 12 1 15 9 18 am 16 9 26 1 17 10 11 1 18 10 18 am 19 10 19 1 20 12 13 1 21 12 14 1 22 12 21 1 23 13 15 1 24 13 22 1 25 14 16 1 26 14 23 1 27 15 17 1 28 15 24 1 29 16 25 1 30 17 27 1 31 17 28 1 32 19 20 1 33 19 33 1 34 19 34 1 35 20 35 1 36 20 36 1