@MOLECULE 2-hydroxyethyl nicotinate 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2868 -0.1196 0.3041 O.3 1 UNL1111111111 -0.4113 2 O 3.4962 1.3310 -0.7094 O.3 1 UNL1111111111 -0.5351 3 O 0.4643 -2.1588 -0.1349 O.2 1 UNL1111111111 -0.5042 4 N -2.3240 1.7137 0.1454 N.ar 1 UNL1111111111 -0.3859 5 C 2.6070 -0.6547 0.1216 C.3 1 UNL1111111111 -0.0284 6 C -1.0235 -0.3006 0.0310 C.ar 1 UNL1111111111 -0.2447 7 C 3.5188 0.5233 0.4577 C.3 1 UNL1111111111 -0.0231 8 C 0.2746 -0.9819 0.0523 C.2 1 UNL1111111111 0.6079 9 C -2.1802 -1.0622 -0.1597 C.ar 1 UNL1111111111 -0.0094 10 C -1.1322 1.0917 0.1577 C.ar 1 UNL1111111111 0.1221 11 C -3.4132 -0.4194 -0.1770 C.ar 1 UNL1111111111 -0.2676 12 C -3.4388 0.9728 -0.0109 C.ar 1 UNL1111111111 0.0954 13 H 2.7393 -1.5208 0.7907 H 1 UNL1111111111 0.1439 14 H 2.7142 -0.9712 -0.9347 H 1 UNL1111111111 0.1602 15 H 4.5583 0.1962 0.6464 H 1 UNL1111111111 0.1212 16 H 3.1278 1.0979 1.3185 H 1 UNL1111111111 0.1340 17 H -2.1006 -2.1457 -0.2913 H 1 UNL1111111111 0.1796 18 H -0.2481 1.7368 0.2733 H 1 UNL1111111111 0.1925 19 H -4.3340 -0.9754 -0.3180 H 1 UNL1111111111 0.1723 20 H -4.3797 1.5396 -0.0051 H 1 UNL1111111111 0.1713 21 H 3.9748 2.1691 -0.5599 H 1 UNL1111111111 0.3094 @BOND 1 1 5 1 2 1 8 1 3 2 7 1 4 2 21 1 5 3 8 2 6 4 10 ar 7 4 12 ar 8 5 7 1 9 5 13 1 10 5 14 1 11 6 8 1 12 6 9 ar 13 6 10 ar 14 7 15 1 15 7 16 1 16 9 11 ar 17 9 17 1 18 10 18 1 19 11 12 ar 20 11 19 1 21 12 20 1