@MOLECULE amineptine 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.7858 0.5457 0.8692 O.3 1 UNL1111111111 -0.5751 2 O -7.9358 -0.3029 -1.0050 O.2 1 UNL1111111111 -0.5062 3 N 0.9832 0.8136 -0.1702 N.3 1 UNL1111111111 -0.5646 4 C 2.1840 0.2336 -0.8400 C.3 1 UNL1111111111 0.0462 5 C 3.3921 1.0499 -0.4205 C.ar 1 UNL1111111111 -0.0551 6 C 2.2862 -1.2410 -0.5257 C.ar 1 UNL1111111111 -0.0450 7 C 3.8823 -0.0854 1.8616 C.3 1 UNL1111111111 -0.2718 8 C 2.4977 -0.7379 1.9150 C.3 1 UNL1111111111 -0.2896 9 C 4.1050 0.9257 0.7733 C.ar 1 UNL1111111111 0.0465 10 C 2.3798 -1.7097 0.7875 C.ar 1 UNL1111111111 0.0496 11 C -0.2771 0.3048 -0.7552 C.3 1 UNL1111111111 -0.1080 12 C -1.4481 0.7985 0.1123 C.3 1 UNL1111111111 -0.2817 13 C -2.7709 0.2715 -0.4521 C.3 1 UNL1111111111 -0.2703 14 C 3.7713 2.0357 -1.3468 C.ar 1 UNL1111111111 -0.1589 15 C 2.2578 -2.1517 -1.5838 C.ar 1 UNL1111111111 -0.1586 16 C -3.9516 0.7411 0.4073 C.3 1 UNL1111111111 -0.2688 17 C 5.1860 1.7963 1.0081 C.ar 1 UNL1111111111 -0.1915 18 C 2.4112 -3.0840 1.0339 C.ar 1 UNL1111111111 -0.1885 19 C -5.2721 0.2390 -0.1861 C.3 1 UNL1111111111 -0.2574 20 C 4.8379 2.8892 -1.1040 C.ar 1 UNL1111111111 -0.1650 21 C 2.3011 -3.5213 -1.3353 C.ar 1 UNL1111111111 -0.1655 22 C 5.5513 2.7675 0.0882 C.ar 1 UNL1111111111 -0.1318 23 C 2.3681 -3.9877 -0.0244 C.ar 1 UNL1111111111 -0.1390 24 C -6.4595 0.6890 0.6701 C.3 1 UNL1111111111 -0.3492 25 C -7.7419 0.2419 0.0485 C.2 1 UNL1111111111 0.6469 26 H 2.0762 0.3306 -1.9641 H 1 UNL1111111111 0.1239 27 H 4.0787 0.3874 2.8493 H 1 UNL1111111111 0.1498 28 H 4.6549 -0.8824 1.7540 H 1 UNL1111111111 0.1588 29 H 2.3455 -1.2270 2.8956 H 1 UNL1111111111 0.1410 30 H 1.6987 0.0384 1.8485 H 1 UNL1111111111 0.1970 31 H 1.0199 1.8311 -0.1898 H 1 UNL1111111111 0.2634 32 H -0.2440 -0.8091 -0.7433 H 1 UNL1111111111 0.1503 33 H -0.4179 0.6145 -1.8118 H 1 UNL1111111111 0.1106 34 H -1.4565 1.9021 0.1583 H 1 UNL1111111111 0.1369 35 H -1.3029 0.4557 1.1557 H 1 UNL1111111111 0.1536 36 H -2.7508 -0.8347 -0.4949 H 1 UNL1111111111 0.1419 37 H -2.9025 0.6131 -1.4963 H 1 UNL1111111111 0.1373 38 H 3.2200 2.1353 -2.2817 H 1 UNL1111111111 0.1473 39 H 2.2029 -1.7958 -2.6109 H 1 UNL1111111111 0.1485 40 H -3.8317 0.3749 1.4444 H 1 UNL1111111111 0.1392 41 H -3.9562 1.8453 0.4732 H 1 UNL1111111111 0.1370 42 H 5.7508 1.7050 1.9351 H 1 UNL1111111111 0.1504 43 H 2.4742 -3.4500 2.0557 H 1 UNL1111111111 0.1496 44 H -5.3921 0.6073 -1.2249 H 1 UNL1111111111 0.1547 45 H -5.2610 -0.8659 -0.2701 H 1 UNL1111111111 0.1523 46 H 5.1163 3.6441 -1.8349 H 1 UNL1111111111 0.1500 47 H 2.2801 -4.2248 -2.1639 H 1 UNL1111111111 0.1480 48 H 6.3900 3.4306 0.2926 H 1 UNL1111111111 0.1474 49 H 2.3924 -5.0568 0.1729 H 1 UNL1111111111 0.1448 50 H -6.3778 0.2913 1.7054 H 1 UNL1111111111 0.1817 51 H -6.4677 1.7951 0.7880 H 1 UNL1111111111 0.1811 52 H -9.6655 0.2779 0.5097 H 1 UNL1111111111 0.3558 @BOND 1 1 25 1 2 1 52 1 3 2 25 2 4 3 4 1 5 3 11 1 6 3 31 1 7 4 5 1 8 4 6 1 9 4 26 1 10 5 9 ar 11 5 14 ar 12 6 10 ar 13 6 15 ar 14 7 8 1 15 7 9 1 16 7 27 1 17 7 28 1 18 8 10 1 19 8 29 1 20 8 30 1 21 9 17 ar 22 10 18 ar 23 11 12 1 24 11 32 1 25 11 33 1 26 12 13 1 27 12 34 1 28 12 35 1 29 13 16 1 30 13 36 1 31 13 37 1 32 14 20 ar 33 14 38 1 34 15 21 ar 35 15 39 1 36 16 19 1 37 16 40 1 38 16 41 1 39 17 22 ar 40 17 42 1 41 18 23 ar 42 18 43 1 43 19 24 1 44 19 44 1 45 19 45 1 46 20 22 ar 47 20 46 1 48 21 23 ar 49 21 47 1 50 22 48 1 51 23 49 1 52 24 25 1 53 24 50 1 54 24 51 1