@MOLECULE fenpiprane 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.7858 -0.2483 0.0718 N.3 1 UNL1111111111 -0.4258 2 C 3.3767 -1.4779 0.6553 C.3 1 UNL1111111111 -0.1064 3 C 3.7605 0.8701 0.0911 C.3 1 UNL1111111111 -0.1076 4 C 1.5362 0.1261 0.7795 C.3 1 UNL1111111111 -0.1201 5 C 4.5985 -1.9066 -0.1783 C.3 1 UNL1111111111 -0.2770 6 C 4.9945 0.4914 -0.7495 C.3 1 UNL1111111111 -0.2736 7 C 5.6426 -0.7849 -0.2019 C.3 1 UNL1111111111 -0.2635 8 C 0.3789 -0.6776 0.1531 C.3 1 UNL1111111111 -0.2749 9 C -0.9741 -0.1926 0.7044 C.3 1 UNL1111111111 -0.1442 10 C -1.2528 1.2184 0.2473 C.ar 1 UNL1111111111 0.0137 11 C -2.1282 -1.0719 0.2906 C.ar 1 UNL1111111111 0.0127 12 C -1.2869 2.2545 1.1824 C.ar 1 UNL1111111111 -0.1825 13 C -3.2656 -1.1003 1.1045 C.ar 1 UNL1111111111 -0.1755 14 C -1.4745 1.4980 -1.1031 C.ar 1 UNL1111111111 -0.1599 15 C -2.1070 -1.8264 -0.8824 C.ar 1 UNL1111111111 -0.1729 16 C -1.5407 3.5605 0.7679 C.ar 1 UNL1111111111 -0.1361 17 C -4.3671 -1.8732 0.7483 C.ar 1 UNL1111111111 -0.1344 18 C -1.7283 2.8033 -1.5142 C.ar 1 UNL1111111111 -0.1345 19 C -3.2100 -2.6015 -1.2368 C.ar 1 UNL1111111111 -0.1372 20 C -1.7615 3.8372 -0.5794 C.ar 1 UNL1111111111 -0.1637 21 C -4.3409 -2.6268 -0.4246 C.ar 1 UNL1111111111 -0.1642 22 H 2.6055 -2.2783 0.6214 H 1 UNL1111111111 0.1352 23 H 3.6705 -1.3487 1.7185 H 1 UNL1111111111 0.1082 24 H 4.0724 1.1498 1.1191 H 1 UNL1111111111 0.1092 25 H 3.2677 1.7598 -0.3604 H 1 UNL1111111111 0.1359 26 H 1.5858 -0.0451 1.8739 H 1 UNL1111111111 0.1138 27 H 1.3396 1.2125 0.6360 H 1 UNL1111111111 0.1441 28 H 4.2737 -2.1379 -1.2118 H 1 UNL1111111111 0.1509 29 H 5.0282 -2.8353 0.2330 H 1 UNL1111111111 0.1291 30 H 5.7153 1.3264 -0.7559 H 1 UNL1111111111 0.1298 31 H 4.6843 0.3323 -1.8011 H 1 UNL1111111111 0.1511 32 H 6.0421 -0.6090 0.8135 H 1 UNL1111111111 0.1327 33 H 6.5065 -1.0758 -0.8258 H 1 UNL1111111111 0.1319 34 H 0.5049 -1.7569 0.3544 H 1 UNL1111111111 0.1466 35 H 0.4263 -0.5664 -0.9489 H 1 UNL1111111111 0.1627 36 H -0.9038 -0.2180 1.8256 H 1 UNL1111111111 0.1542 37 H -1.1185 2.0476 2.2366 H 1 UNL1111111111 0.1490 38 H -3.2951 -0.5081 2.0162 H 1 UNL1111111111 0.1515 39 H -1.4539 0.6912 -1.8343 H 1 UNL1111111111 0.1573 40 H -1.2325 -1.8159 -1.5305 H 1 UNL1111111111 0.1573 41 H -1.5674 4.3650 1.4994 H 1 UNL1111111111 0.1444 42 H -5.2499 -1.8874 1.3846 H 1 UNL1111111111 0.1470 43 H -1.9022 3.0160 -2.5671 H 1 UNL1111111111 0.1475 44 H -3.1861 -3.1876 -2.1535 H 1 UNL1111111111 0.1458 45 H -1.9598 4.8566 -0.9011 H 1 UNL1111111111 0.1458 46 H -5.2006 -3.2302 -0.7038 H 1 UNL1111111111 0.1465 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 22 1 6 2 23 1 7 3 6 1 8 3 24 1 9 3 25 1 10 4 8 1 11 4 26 1 12 4 27 1 13 5 7 1 14 5 28 1 15 5 29 1 16 6 7 1 17 6 30 1 18 6 31 1 19 7 32 1 20 7 33 1 21 8 9 1 22 8 34 1 23 8 35 1 24 9 10 1 25 9 11 1 26 9 36 1 27 10 12 ar 28 10 14 ar 29 11 13 ar 30 11 15 ar 31 12 16 ar 32 12 37 1 33 13 17 ar 34 13 38 1 35 14 18 ar 36 14 39 1 37 15 19 ar 38 15 40 1 39 16 20 ar 40 16 41 1 41 17 21 ar 42 17 42 1 43 18 20 ar 44 18 43 1 45 19 21 ar 46 19 44 1 47 20 45 1 48 21 46 1