@MOLECULE dextromoramide 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0433 0.2306 -2.3630 O.2 1 UNL1111 -0.5428 2 O -5.6090 -0.3571 0.6765 O.3 1 UNL1111 -0.3915 3 N -0.0476 1.7748 -1.1941 N.am 1 UNL1111 -0.4969 4 N -2.8267 -0.8206 0.4730 N.3 1 UNL1111 -0.4125 5 C 0.9280 -0.2582 -0.0003 C.3 1 UNL1111 -0.0720 6 C -0.4073 -0.5241 0.7557 C.3 1 UNL1111 -0.0801 7 C -1.5238 -1.0007 -0.2141 C.3 1 UNL1111 -0.1359 8 C 0.6759 0.5991 -1.2617 C.2 1 UNL1111 0.5532 9 C 1.5222 -1.6028 -0.3857 C.ar 1 UNL1111 0.0128 10 C 1.9517 0.5382 0.7879 C.ar 1 UNL1111 -0.0180 11 C -0.2043 2.5362 -2.4553 C.3 1 UNL1111 -0.0519 12 C -0.1835 2.6561 -0.0244 C.3 1 UNL1111 -0.0651 13 C -0.2437 -1.5726 1.8610 C.3 1 UNL1111 -0.4465 14 C -0.8548 3.8708 -2.0558 C.3 1 UNL1111 -0.2835 15 C -0.5111 4.0629 -0.5691 C.3 1 UNL1111 -0.2801 16 C -3.4012 0.5190 0.1993 C.3 1 UNL1111 -0.1580 17 C -3.7983 -1.8647 0.0663 C.3 1 UNL1111 -0.1559 18 C 2.5009 -2.1848 0.4279 C.ar 1 UNL1111 -0.1611 19 C 3.1541 0.8566 0.1400 C.ar 1 UNL1111 -0.1609 20 C 1.0721 -2.3020 -1.5080 C.ar 1 UNL1111 -0.1326 21 C 1.7512 0.9732 2.0966 C.ar 1 UNL1111 -0.1735 22 C -4.6852 0.6540 1.0366 C.3 1 UNL1111 -0.0461 23 C -5.0879 -1.6574 0.8834 C.3 1 UNL1111 -0.0480 24 C 3.0277 -3.4352 0.1175 C.ar 1 UNL1111 -0.1523 25 C 4.1324 1.5996 0.7892 C.ar 1 UNL1111 -0.1358 26 C 1.5984 -3.5554 -1.8157 C.ar 1 UNL1111 -0.1484 27 C 2.7354 1.7168 2.7487 C.ar 1 UNL1111 -0.1471 28 C 2.5773 -4.1251 -1.0061 C.ar 1 UNL1111 -0.1535 29 C 3.9236 2.0338 2.0985 C.ar 1 UNL1111 -0.1533 30 H -0.7422 0.4322 1.2256 H 1 UNL1111 0.1443 31 H -1.4802 -0.4576 -1.1811 H 1 UNL1111 0.1336 32 H -1.3622 -2.0739 -0.4542 H 1 UNL1111 0.1477 33 H 0.7793 2.6845 -2.9518 H 1 UNL1111 0.1449 34 H -0.8325 1.9452 -3.1545 H 1 UNL1111 0.1493 35 H -1.0042 2.2774 0.6241 H 1 UNL1111 0.1376 36 H 0.7459 2.6760 0.5831 H 1 UNL1111 0.1449 37 H -0.0284 -2.5674 1.4525 H 1 UNL1111 0.1542 38 H -1.1763 -1.6550 2.4373 H 1 UNL1111 0.1629 39 H 0.5653 -1.3292 2.5548 H 1 UNL1111 0.1425 40 H -1.9477 3.8356 -2.2054 H 1 UNL1111 0.1447 41 H -0.4827 4.7033 -2.6720 H 1 UNL1111 0.1406 42 H 0.3547 4.7361 -0.4506 H 1 UNL1111 0.1413 43 H -1.3433 4.5251 -0.0166 H 1 UNL1111 0.1429 44 H -2.6656 1.2952 0.4960 H 1 UNL1111 0.1414 45 H -3.6294 0.6812 -0.8757 H 1 UNL1111 0.1289 46 H -4.0289 -1.8409 -1.0193 H 1 UNL1111 0.1267 47 H -3.3652 -2.8610 0.2974 H 1 UNL1111 0.1435 48 H 2.8597 -1.6641 1.3152 H 1 UNL1111 0.1569 49 H 3.3225 0.5094 -0.8836 H 1 UNL1111 0.1764 50 H 0.3202 -1.8688 -2.1692 H 1 UNL1111 0.1692 51 H 0.8295 0.7411 2.6295 H 1 UNL1111 0.1630 52 H -5.2352 1.5831 0.8106 H 1 UNL1111 0.1328 53 H -4.4723 0.5934 2.1180 H 1 UNL1111 0.1273 54 H -4.9119 -1.8151 1.9618 H 1 UNL1111 0.1274 55 H -5.9081 -2.3083 0.5350 H 1 UNL1111 0.1351 56 H 3.7930 -3.8722 0.7542 H 1 UNL1111 0.1441 57 H 5.0625 1.8393 0.2768 H 1 UNL1111 0.1534 58 H 1.2449 -4.0847 -2.6978 H 1 UNL1111 0.1463 59 H 2.5699 2.0480 3.7716 H 1 UNL1111 0.1455 60 H 2.9898 -5.1002 -1.2497 H 1 UNL1111 0.1423 61 H 4.6882 2.6153 2.6076 H 1 UNL1111 0.1459 @BOND 1 1 8 2 2 2 22 1 3 2 23 1 4 3 8 am 5 3 11 1 6 3 12 1 7 4 7 1 8 4 16 1 9 4 17 1 10 5 6 1 11 5 8 1 12 5 9 1 13 5 10 1 14 6 7 1 15 6 13 1 16 6 30 1 17 7 31 1 18 7 32 1 19 9 18 ar 20 9 20 ar 21 10 19 ar 22 10 21 ar 23 11 14 1 24 11 33 1 25 11 34 1 26 12 15 1 27 12 35 1 28 12 36 1 29 13 37 1 30 13 38 1 31 13 39 1 32 14 15 1 33 14 40 1 34 14 41 1 35 15 42 1 36 15 43 1 37 16 22 1 38 16 44 1 39 16 45 1 40 17 23 1 41 17 46 1 42 17 47 1 43 18 24 ar 44 18 48 1 45 19 25 ar 46 19 49 1 47 20 26 ar 48 20 50 1 49 21 27 ar 50 21 51 1 51 22 52 1 52 22 53 1 53 23 54 1 54 23 55 1 55 24 28 ar 56 24 56 1 57 25 29 ar 58 25 57 1 59 26 28 ar 60 26 58 1 61 27 29 ar 62 27 59 1 63 28 60 1 64 29 61 1