@MOLECULE 1-dodecanoyl-l-proline 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9689 1.2303 -0.8722 O.2 1 UNL1111111111111 -0.5260 2 O -6.6859 1.9550 -0.0247 O.3 1 UNL1111111111111 -0.5658 3 O -5.3805 1.1179 1.5795 O.2 1 UNL1111111111111 -0.4933 4 N -4.1569 -0.5961 -0.3642 N.am 1 UNL1111111111111 -0.5256 5 C -5.4219 0.0762 -0.6583 C.3 1 UNL1111111111111 0.0429 6 C -6.4734 -1.0534 -0.6668 C.3 1 UNL1111111111111 -0.2764 7 C -5.8982 -2.1389 0.2629 C.3 1 UNL1111111111111 -0.2825 8 C -4.3800 -1.8582 0.3610 C.3 1 UNL1111111111111 -0.0554 9 C -2.9617 0.1113 -0.4020 C.2 1 UNL1111111111111 0.5937 10 C -1.7242 -0.6031 0.0785 C.3 1 UNL1111111111111 -0.3559 11 C -0.4857 0.2503 -0.2193 C.3 1 UNL1111111111111 -0.2471 12 C 0.7940 -0.5045 0.1548 C.3 1 UNL1111111111111 -0.2736 13 C 2.0309 0.3549 -0.1391 C.3 1 UNL1111111111111 -0.2693 14 C 3.3174 -0.4231 0.1648 C.3 1 UNL1111111111111 -0.2767 15 C 4.5566 0.4371 -0.1168 C.3 1 UNL1111111111111 -0.2710 16 C -5.7701 1.0702 0.4459 C.2 1 UNL1111111111111 0.6067 17 C 5.8391 -0.3554 0.1675 C.3 1 UNL1111111111111 -0.2736 18 C 7.0836 0.4969 -0.1133 C.3 1 UNL1111111111111 -0.2740 19 C 8.3607 -0.3077 0.1601 C.3 1 UNL1111111111111 -0.2725 20 C 9.6112 0.5349 -0.1246 C.3 1 UNL1111111111111 -0.2507 21 C 10.8814 -0.2733 0.1425 C.3 1 UNL1111111111111 -0.4399 22 H -5.3481 0.6190 -1.6396 H 1 UNL1111111111111 0.1939 23 H -7.4653 -0.7036 -0.3374 H 1 UNL1111111111111 0.1585 24 H -6.6069 -1.4414 -1.6928 H 1 UNL1111111111111 0.1568 25 H -6.0968 -3.1492 -0.1274 H 1 UNL1111111111111 0.1460 26 H -6.3679 -2.0901 1.2609 H 1 UNL1111111111111 0.1510 27 H -3.7854 -2.6640 -0.1181 H 1 UNL1111111111111 0.1368 28 H -4.0575 -1.7739 1.4209 H 1 UNL1111111111111 0.1392 29 H -1.6342 -1.5937 -0.4105 H 1 UNL1111111111111 0.1633 30 H -1.8006 -0.7980 1.1685 H 1 UNL1111111111111 0.1678 31 H -0.4706 0.5342 -1.2908 H 1 UNL1111111111111 0.1552 32 H -0.5494 1.2110 0.3304 H 1 UNL1111111111111 0.1574 33 H 0.7750 -0.7830 1.2249 H 1 UNL1111111111111 0.1356 34 H 0.8538 -1.4546 -0.4079 H 1 UNL1111111111111 0.1333 35 H 2.0255 0.6784 -1.1971 H 1 UNL1111111111111 0.1394 36 H 1.9979 1.2831 0.4617 H 1 UNL1111111111111 0.1402 37 H 3.3200 -0.7542 1.2198 H 1 UNL1111111111111 0.1352 38 H 3.3540 -1.3460 -0.4433 H 1 UNL1111111111111 0.1345 39 H 4.5315 1.3528 0.5026 H 1 UNL1111111111111 0.1377 40 H 4.5488 0.7804 -1.1681 H 1 UNL1111111111111 0.1374 41 H 5.8464 -0.6993 1.2185 H 1 UNL1111111111111 0.1360 42 H 5.8620 -1.2716 -0.4515 H 1 UNL1111111111111 0.1357 43 H 7.0684 1.4090 0.5115 H 1 UNL1111111111111 0.1369 44 H 7.0740 0.8475 -1.1620 H 1 UNL1111111111111 0.1367 45 H 8.3732 -1.2218 -0.4623 H 1 UNL1111111111111 0.1361 46 H 8.3718 -0.6561 1.2095 H 1 UNL1111111111111 0.1362 47 H 9.6001 0.8876 -1.1729 H 1 UNL1111111111111 0.1338 48 H 9.6040 1.4464 0.5023 H 1 UNL1111111111111 0.1339 49 H -6.9300 2.6603 0.6234 H 1 UNL1111111111111 0.3574 50 H 10.9291 -1.1657 -0.4913 H 1 UNL1111111111111 0.1420 51 H 10.9306 -0.6065 1.1851 H 1 UNL1111111111111 0.1421 52 H 11.7799 0.3205 -0.0569 H 1 UNL1111111111111 0.1401 @BOND 1 1 9 2 2 2 16 1 3 2 49 1 4 3 16 2 5 4 5 1 6 4 8 1 7 4 9 am 8 5 6 1 9 5 16 1 10 5 22 1 11 6 7 1 12 6 23 1 13 6 24 1 14 7 8 1 15 7 25 1 16 7 26 1 17 8 27 1 18 8 28 1 19 9 10 1 20 10 11 1 21 10 29 1 22 10 30 1 23 11 12 1 24 11 31 1 25 11 32 1 26 12 13 1 27 12 33 1 28 12 34 1 29 13 14 1 30 13 35 1 31 13 36 1 32 14 15 1 33 14 37 1 34 14 38 1 35 15 17 1 36 15 39 1 37 15 40 1 38 17 18 1 39 17 41 1 40 17 42 1 41 18 19 1 42 18 43 1 43 18 44 1 44 19 20 1 45 19 45 1 46 19 46 1 47 20 21 1 48 20 47 1 49 20 48 1 50 21 50 1 51 21 51 1 52 21 52 1