@MOLECULE myristyl nicotinate 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.8275 0.3160 -0.0072 O.3 1 UNL1111111111 -0.4334 2 O 6.1366 2.1411 0.0121 O.2 1 UNL1111111111 -0.5000 3 N 7.9109 -2.3080 -0.0008 N.ar 1 UNL1111111111 -0.3864 4 C -3.8506 0.5999 0.0010 C.3 1 UNL1111111111 -0.2727 5 C -5.0488 -0.3575 -0.0103 C.3 1 UNL1111111111 -0.2727 6 C -2.5316 -0.1818 -0.0193 C.3 1 UNL1111111111 -0.2743 7 C -6.3681 0.4248 0.0125 C.3 1 UNL1111111111 -0.2717 8 C -1.3376 0.7813 -0.0144 C.3 1 UNL1111111111 -0.2731 9 C -7.5663 -0.5331 -0.0009 C.3 1 UNL1111111111 -0.2721 10 C -0.0148 0.0048 -0.0190 C.3 1 UNL1111111111 -0.2700 11 C -8.8856 0.2492 0.0170 C.3 1 UNL1111111111 -0.2746 12 C 1.1779 0.9696 -0.0159 C.3 1 UNL1111111111 -0.2708 13 C -10.0838 -0.7082 0.0034 C.3 1 UNL1111111111 -0.2722 14 C 2.4991 0.1954 -0.0150 C.3 1 UNL1111111111 -0.2978 15 C -11.4047 0.0727 0.0153 C.3 1 UNL1111111111 -0.2510 16 C 3.6722 1.1732 -0.0087 C.3 1 UNL1111111111 -0.0042 17 C -12.6009 -0.8793 0.0030 C.3 1 UNL1111111111 -0.4398 18 C 6.0291 0.9393 0.0042 C.2 1 UNL1111111111 0.6116 19 C 7.1289 -0.0354 0.0056 C.ar 1 UNL1111111111 -0.2429 20 C 8.4440 0.4387 0.0159 C.ar 1 UNL1111111111 -0.0116 21 C 6.9006 -1.4208 -0.0026 C.ar 1 UNL1111111111 0.1211 22 C 9.4884 -0.4807 0.0177 C.ar 1 UNL1111111111 -0.2672 23 C 9.1772 -1.8476 0.0092 C.ar 1 UNL1111111111 0.0943 24 H -3.9013 1.2800 -0.8697 H 1 UNL1111111111 0.1366 25 H -3.8927 1.2485 0.8959 H 1 UNL1111111111 0.1366 26 H -5.0078 -1.0048 -0.9061 H 1 UNL1111111111 0.1366 27 H -4.9976 -1.0389 0.8592 H 1 UNL1111111111 0.1366 28 H -2.4898 -0.8343 -0.9115 H 1 UNL1111111111 0.1370 29 H -2.4776 -0.8587 0.8540 H 1 UNL1111111111 0.1370 30 H -6.4101 1.0709 0.9091 H 1 UNL1111111111 0.1364 31 H -6.4190 1.1071 -0.8563 H 1 UNL1111111111 0.1364 32 H -1.3885 1.4504 -0.8937 H 1 UNL1111111111 0.1371 33 H -1.3877 1.4406 0.8723 H 1 UNL1111111111 0.1372 34 H -7.5229 -1.1817 -0.8956 H 1 UNL1111111111 0.1365 35 H -7.5176 -1.2131 0.8699 H 1 UNL1111111111 0.1365 36 H 0.0328 -0.6564 -0.9045 H 1 UNL1111111111 0.1379 37 H 0.0344 -0.6636 0.8610 H 1 UNL1111111111 0.1380 38 H -8.9344 0.9295 -0.8536 H 1 UNL1111111111 0.1363 39 H -8.9293 0.8978 0.9117 H 1 UNL1111111111 0.1363 40 H 1.1246 1.6349 -0.8988 H 1 UNL1111111111 0.1399 41 H 1.1220 1.6325 0.8687 H 1 UNL1111111111 0.1399 42 H -10.0388 -1.3602 -0.8886 H 1 UNL1111111111 0.1365 43 H -10.0380 -1.3860 0.8759 H 1 UNL1111111111 0.1365 44 H 2.5594 -0.4756 0.8641 H 1 UNL1111111111 0.1544 45 H 2.5636 -0.4692 -0.8988 H 1 UNL1111111111 0.1544 46 H -11.4503 0.7253 0.9074 H 1 UNL1111111111 0.1335 47 H -11.4517 0.7499 -0.8583 H 1 UNL1111111111 0.1335 48 H 3.7099 1.8107 -0.9088 H 1 UNL1111111111 0.1371 49 H 3.7039 1.8067 0.8946 H 1 UNL1111111111 0.1373 50 H -12.5978 -1.5147 -0.8896 H 1 UNL1111111111 0.1423 51 H -12.5964 -1.5392 0.8776 H 1 UNL1111111111 0.1423 52 H -13.5474 -0.3278 0.0114 H 1 UNL1111111111 0.1400 53 H 8.6373 1.5164 0.0224 H 1 UNL1111111111 0.1801 54 H 5.8847 -1.8425 -0.0110 H 1 UNL1111111111 0.1904 55 H 10.5233 -0.1505 0.0256 H 1 UNL1111111111 0.1726 56 H 9.9596 -2.6170 0.0102 H 1 UNL1111111111 0.1716 @BOND 1 1 16 1 2 1 18 1 3 2 18 2 4 3 21 ar 5 3 23 ar 6 4 5 1 7 4 6 1 8 4 24 1 9 4 25 1 10 5 7 1 11 5 26 1 12 5 27 1 13 6 8 1 14 6 28 1 15 6 29 1 16 7 9 1 17 7 30 1 18 7 31 1 19 8 10 1 20 8 32 1 21 8 33 1 22 9 11 1 23 9 34 1 24 9 35 1 25 10 12 1 26 10 36 1 27 10 37 1 28 11 13 1 29 11 38 1 30 11 39 1 31 12 14 1 32 12 40 1 33 12 41 1 34 13 15 1 35 13 42 1 36 13 43 1 37 14 16 1 38 14 44 1 39 14 45 1 40 15 17 1 41 15 46 1 42 15 47 1 43 16 48 1 44 16 49 1 45 17 50 1 46 17 51 1 47 17 52 1 48 18 19 1 49 19 20 ar 50 19 21 ar 51 20 22 ar 52 20 53 1 53 21 54 1 54 22 23 ar 55 22 55 1 56 23 56 1