@MOLECULE granulatamide b 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0273 -1.0181 1.1712 O.2 1 UNL1111111111 -0.5503 2 N 2.9946 -1.4447 1.5286 N.ar 1 UNL1111111111 -0.3841 3 N -1.3531 -1.3521 -1.0451 N.am 1 UNL1111111111 -0.6080 4 C -1.9011 2.3422 0.3602 C.3 1 UNL1111111111 -0.2826 5 C -0.5041 2.7704 -0.1046 C.3 1 UNL1111111111 -0.2686 6 C -2.9591 2.6761 -0.6972 C.3 1 UNL1111111111 -0.2548 7 C 0.5499 2.3485 0.9278 C.3 1 UNL1111111111 -0.2774 8 C -4.3539 2.1750 -0.2790 C.3 1 UNL1111111111 -0.3016 9 C 1.9675 2.5697 0.3861 C.3 1 UNL1111111111 -0.2511 10 C -4.4165 0.6776 -0.3538 C.2 1 UNL1111111111 0.0864 11 C 2.0401 -1.4107 -0.5371 C.ar 1 UNL1111111111 -0.1289 12 C 1.0628 -1.5727 -1.6326 C.3 1 UNL1111111111 -0.2688 13 C 3.3578 -0.8447 -0.6473 C.ar 1 UNL1111111111 -0.0721 14 C 3.9314 -0.8758 0.6660 C.ar 1 UNL1111111111 0.1012 15 C 3.0066 2.3690 1.4898 C.3 1 UNL1111111111 -0.4396 16 C -0.1434 -0.6222 -1.4285 C.3 1 UNL1111111111 -0.0573 17 C -4.1892 -0.0779 0.7282 C.2 1 UNL1111111111 -0.2888 18 C 1.8464 -1.7503 0.7922 C.ar 1 UNL1111111111 -0.0040 19 C -4.7214 0.1129 -1.7008 C.3 1 UNL1111111111 -0.4632 20 C 4.1031 -0.3079 -1.7006 C.ar 1 UNL1111111111 -0.1131 21 C -4.1357 -1.5424 0.7279 C.2 1 UNL1111111111 0.1468 22 C 5.2195 -0.3909 0.9254 C.ar 1 UNL1111111111 -0.2137 23 C 5.3730 0.1759 -1.4402 C.ar 1 UNL1111111111 -0.1965 24 C -2.9898 -2.2022 0.5128 C.2 1 UNL1111111111 -0.3717 25 C 5.9247 0.1327 -0.1424 C.ar 1 UNL1111111111 -0.1240 26 C -1.7170 -1.4778 0.2813 C.2 1 UNL1111111111 0.6190 27 C -5.4239 -2.2352 1.0143 C.3 1 UNL1111111111 -0.4624 28 H -1.9041 1.2514 0.5719 H 1 UNL1111111111 0.1630 29 H -2.1487 2.8290 1.3203 H 1 UNL1111111111 0.1367 30 H -0.4689 3.8640 -0.2576 H 1 UNL1111111111 0.1309 31 H -0.2755 2.3188 -1.0873 H 1 UNL1111111111 0.1295 32 H -2.9950 3.7695 -0.8601 H 1 UNL1111111111 0.1343 33 H -2.6753 2.2324 -1.6695 H 1 UNL1111111111 0.1344 34 H 0.4140 1.2806 1.2010 H 1 UNL1111111111 0.1580 35 H 0.4050 2.9124 1.8667 H 1 UNL1111111111 0.1361 36 H -5.1248 2.6297 -0.9318 H 1 UNL1111111111 0.1432 37 H -4.5878 2.5345 0.7431 H 1 UNL1111111111 0.1511 38 H 2.0629 3.5835 -0.0423 H 1 UNL1111111111 0.1282 39 H 2.1674 1.8643 -0.4447 H 1 UNL1111111111 0.1386 40 H 0.7160 -2.6260 -1.6879 H 1 UNL1111111111 0.1568 41 H 1.5374 -1.3696 -2.6130 H 1 UNL1111111111 0.1444 42 H 2.9141 1.3736 1.9398 H 1 UNL1111111111 0.1449 43 H 4.0246 2.4488 1.0920 H 1 UNL1111111111 0.1413 44 H 2.8967 3.1097 2.2872 H 1 UNL1111111111 0.1368 45 H 0.1010 0.1299 -0.6336 H 1 UNL1111111111 0.1832 46 H -0.3478 -0.0498 -2.3575 H 1 UNL1111111111 0.1251 47 H -3.9797 0.3665 1.7049 H 1 UNL1111111111 0.1782 48 H 0.9712 -2.1612 1.2706 H 1 UNL1111111111 0.1900 49 H -5.7569 0.3375 -1.9953 H 1 UNL1111111111 0.1581 50 H -4.6026 -0.9777 -1.7424 H 1 UNL1111111111 0.1531 51 H -4.0648 0.5414 -2.4720 H 1 UNL1111111111 0.1596 52 H 3.0969 -1.5442 2.5102 H 1 UNL1111111111 0.3133 53 H 3.6826 -0.2733 -2.7017 H 1 UNL1111111111 0.1471 54 H 5.6405 -0.4256 1.9231 H 1 UNL1111111111 0.1537 55 H -1.9088 -1.7499 -1.7784 H 1 UNL1111111111 0.3038 56 H 5.9672 0.6005 -2.2453 H 1 UNL1111111111 0.1462 57 H -2.9034 -3.2828 0.5429 H 1 UNL1111111111 0.1756 58 H 6.9288 0.5236 0.0120 H 1 UNL1111111111 0.1455 59 H -6.2147 -1.9054 0.3239 H 1 UNL1111111111 0.1632 60 H -5.3515 -3.3276 0.9388 H 1 UNL1111111111 0.1561 61 H -5.7735 -2.0005 2.0324 H 1 UNL1111111111 0.1691 @BOND 1 1 26 2 2 2 14 ar 3 2 18 ar 4 2 52 1 5 3 16 1 6 3 26 am 7 3 55 1 8 4 5 1 9 4 6 1 10 4 28 1 11 4 29 1 12 5 7 1 13 5 30 1 14 5 31 1 15 6 8 1 16 6 32 1 17 6 33 1 18 7 9 1 19 7 34 1 20 7 35 1 21 8 10 1 22 8 36 1 23 8 37 1 24 9 15 1 25 9 38 1 26 9 39 1 27 10 17 2 28 10 19 1 29 11 12 1 30 11 13 ar 31 11 18 ar 32 12 16 1 33 12 40 1 34 12 41 1 35 13 14 ar 36 13 20 ar 37 14 22 ar 38 15 42 1 39 15 43 1 40 15 44 1 41 16 45 1 42 16 46 1 43 17 21 1 44 17 47 1 45 18 48 1 46 19 49 1 47 19 50 1 48 19 51 1 49 20 23 ar 50 20 53 1 51 21 24 2 52 21 27 1 53 22 25 ar 54 22 54 1 55 23 25 ar 56 23 56 1 57 24 26 1 58 24 57 1 59 25 58 1 60 27 59 1 61 27 60 1 62 27 61 1