@MOLECULE choline 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.6423 -0.7326 0.0365 C.3 1 UNL1111 -0.0015 2 C 0.3826 -0.4768 0.8531 C.3 1 UNL1111 -0.2772 3 C -1.2876 -1.0395 -1.0213 C.3 1 UNL1111 -0.3944 4 C -0.4688 1.3023 -0.7383 C.3 1 UNL1111 -0.3590 5 C -2.0159 0.3267 0.9478 C.3 1 UNL1111 -0.3941 6 O 2.3353 0.5116 0.0015 O.3 1 UNL1111 -0.5566 7 N -0.8382 0.0229 -0.0023 N.4 1 UNL1111 -0.0416 8 H 2.2914 -1.4836 0.5222 H 1 UNL1111 0.1036 9 H 1.4338 -1.0439 -1.0012 H 1 UNL1111 0.1133 10 H 0.5845 0.2995 1.6123 H 1 UNL1111 0.1507 11 H 0.0589 -1.3903 1.3717 H 1 UNL1111 0.1285 12 H -0.4951 -1.2232 -1.7494 H 1 UNL1111 0.1315 13 H -1.5153 -1.9701 -0.4965 H 1 UNL1111 0.1341 14 H -2.1804 -0.6994 -1.5506 H 1 UNL1111 0.1329 15 H -1.3245 1.6896 -1.2974 H 1 UNL1111 0.1292 16 H -0.1309 2.0596 -0.0209 H 1 UNL1111 0.1466 17 H 0.3617 1.1142 -1.4294 H 1 UNL1111 0.1492 18 H -2.3043 -0.5871 1.4717 H 1 UNL1111 0.1338 19 H -1.7147 1.0793 1.6800 H 1 UNL1111 0.1360 20 H -2.8720 0.7006 0.3831 H 1 UNL1111 0.1327 21 H 3.2083 0.4022 -0.4151 H 1 UNL1111 0.3025 @BOND 1 1 2 1 2 1 6 1 3 1 8 1 4 1 9 1 5 2 7 1 6 2 10 1 7 2 11 1 8 3 7 1 9 3 12 1 10 3 13 1 11 3 14 1 12 4 7 1 13 4 15 1 14 4 16 1 15 4 17 1 16 5 7 1 17 5 18 1 18 5 19 1 19 5 20 1 20 6 21 1