@MOLECULE balgacyclamide a 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.0192 1.3113 -2.3056 S.2 1 UNL1111111111 0.2309 2 O 0.5345 -3.9476 -0.5497 O.2 1 UNL1111111111 -0.3963 3 O -4.5299 1.5981 0.1227 O.2 1 UNL1111111111 -0.3929 4 O 3.9571 -2.1007 -0.1099 O.2 1 UNL1111111111 -0.5463 5 O -4.0308 -2.4223 0.8108 O.2 1 UNL1111111111 -0.5559 6 O -1.3157 2.8413 -2.4085 O.2 1 UNL1111111111 -0.5197 7 N -1.9902 -1.5008 0.4618 N.am 1 UNL1111111111 -0.5513 8 N 0.6442 -2.3718 1.0619 N.2 1 UNL1111111111 -0.5108 9 N 2.7147 -0.5788 1.0289 N.am 1 UNL1111111111 -0.5653 10 N -2.7916 0.9226 1.3961 N.2 1 UNL1111111111 -0.5043 11 N 1.3626 1.6178 -0.3460 N.ar 1 UNL1111111111 -0.3749 12 N -1.1675 2.7563 -0.1441 N.am 1 UNL1111111111 -0.5734 13 C -1.4931 -2.6594 -0.2751 C.3 1 UNL1111111111 0.0609 14 C 2.0017 -2.9374 1.0128 C.3 1 UNL1111111111 -0.0916 15 C -1.4977 -2.4145 -1.8182 C.3 1 UNL1111111111 -0.0771 16 C 1.8968 -4.0734 -0.0575 C.3 1 UNL1111111111 0.1164 17 C -0.0829 -2.9501 0.1604 C.2 1 UNL1111111111 0.3692 18 C 3.4514 0.5647 0.4771 C.3 1 UNL1111111111 0.0733 19 C 3.7493 1.5973 1.6078 C.3 1 UNL1111111111 -0.0945 20 C -3.7778 -0.1584 1.5303 C.3 1 UNL1111111111 -0.0840 21 C 2.9836 -1.8485 0.5714 C.2 1 UNL1111111111 0.5604 22 C -5.0126 0.3597 0.7143 C.3 1 UNL1111111111 0.1102 23 C 4.4463 2.8356 1.0168 C.3 1 UNL1111111111 -0.2714 24 C -3.2798 -1.4705 0.9151 C.2 1 UNL1111111111 0.5717 25 C -0.6062 -1.2354 -2.2080 C.3 1 UNL1111111111 -0.4595 26 C -2.9306 -2.1838 -2.2973 C.3 1 UNL1111111111 -0.4468 27 C 2.0387 -5.4652 0.5153 C.3 1 UNL1111111111 -0.4798 28 C 2.5755 1.1793 -0.5840 C.ar 1 UNL1111111111 0.0287 29 C 4.6288 0.9365 2.6702 C.3 1 UNL1111111111 -0.4490 30 C -3.2620 1.8181 0.5881 C.2 1 UNL1111111111 0.3502 31 C -2.5849 3.0573 0.0531 C.3 1 UNL1111111111 0.1121 32 C -6.2099 0.6982 1.5713 C.3 1 UNL1111111111 -0.4810 33 C 4.5296 3.9721 2.0361 C.3 1 UNL1111111111 -0.4325 34 C 0.7361 2.0919 -1.4995 C.ar 1 UNL1111111111 -0.0161 35 C -2.7536 4.1946 1.0656 C.3 1 UNL1111111111 -0.4628 36 C -0.6619 2.5876 -1.4158 C.2 1 UNL1111111111 0.5932 37 C 1.4748 2.0120 -2.6504 C.ar 1 UNL1111111111 -0.2562 38 H -2.1450 -3.5577 -0.0468 H 1 UNL1111111111 0.1993 39 H 2.2974 -3.3165 2.0197 H 1 UNL1111111111 0.1863 40 H -1.0974 -3.3445 -2.2978 H 1 UNL1111111111 0.1514 41 H 2.5367 -3.8964 -0.9480 H 1 UNL1111111111 0.1694 42 H 4.4292 0.2010 0.0485 H 1 UNL1111111111 0.1853 43 H 2.7789 1.9085 2.0678 H 1 UNL1111111111 0.1585 44 H -4.0070 -0.3325 2.6090 H 1 UNL1111111111 0.1885 45 H -1.3593 -0.7109 0.5629 H 1 UNL1111111111 0.3472 46 H -5.2661 -0.2839 -0.1536 H 1 UNL1111111111 0.1634 47 H 1.8154 -0.3679 1.4675 H 1 UNL1111111111 0.3491 48 H 3.8973 3.2002 0.1274 H 1 UNL1111111111 0.1394 49 H 5.4607 2.5711 0.6628 H 1 UNL1111111111 0.1395 50 H -3.3188 -1.2142 -1.9618 H 1 UNL1111111111 0.1524 51 H -3.6168 -2.9528 -1.9182 H 1 UNL1111111111 0.1579 52 H -2.9883 -2.1949 -3.3913 H 1 UNL1111111111 0.1486 53 H -0.9522 -0.2931 -1.7664 H 1 UNL1111111111 0.1526 54 H -0.6048 -1.0900 -3.2960 H 1 UNL1111111111 0.1576 55 H 0.4332 -1.3900 -1.9001 H 1 UNL1111111111 0.1440 56 H 1.3694 -5.6302 1.3701 H 1 UNL1111111111 0.1644 57 H 3.0675 -5.6590 0.8452 H 1 UNL1111111111 0.1630 58 H 1.7843 -6.2269 -0.2366 H 1 UNL1111111111 0.1691 59 H 4.1561 0.0324 3.0758 H 1 UNL1111111111 0.1582 60 H 4.8114 1.6130 3.5123 H 1 UNL1111111111 0.1460 61 H 5.6033 0.6400 2.2663 H 1 UNL1111111111 0.1475 62 H -3.0540 3.3431 -0.9388 H 1 UNL1111111111 0.2023 63 H -5.9465 1.3520 2.4122 H 1 UNL1111111111 0.1601 64 H -6.6739 -0.2099 1.9815 H 1 UNL1111111111 0.1691 65 H -6.9781 1.2249 0.9864 H 1 UNL1111111111 0.1680 66 H 4.9514 4.8766 1.5830 H 1 UNL1111111111 0.1410 67 H 5.1651 3.7079 2.8884 H 1 UNL1111111111 0.1436 68 H 3.5390 4.2323 2.4273 H 1 UNL1111111111 0.1460 69 H -0.6378 2.4387 0.6659 H 1 UNL1111111111 0.3470 70 H -3.8126 4.4349 1.2182 H 1 UNL1111111111 0.1590 71 H -2.2511 5.1060 0.7133 H 1 UNL1111111111 0.1693 72 H -2.3242 3.9404 2.0438 H 1 UNL1111111111 0.1649 73 H 1.1595 2.3220 -3.6363 H 1 UNL1111111111 0.2069 @BOND 1 1 28 ar 2 1 37 ar 3 2 16 1 4 2 17 1 5 3 22 1 6 3 30 1 7 4 21 2 8 5 24 2 9 6 36 2 10 7 13 1 11 7 24 am 12 7 45 1 13 8 14 1 14 8 17 2 15 9 18 1 16 9 21 am 17 9 47 1 18 10 20 1 19 10 30 2 20 11 28 ar 21 11 34 ar 22 12 31 1 23 12 36 am 24 12 69 1 25 13 15 1 26 13 17 1 27 13 38 1 28 14 16 1 29 14 21 1 30 14 39 1 31 15 25 1 32 15 26 1 33 15 40 1 34 16 27 1 35 16 41 1 36 18 19 1 37 18 28 1 38 18 42 1 39 19 23 1 40 19 29 1 41 19 43 1 42 20 22 1 43 20 24 1 44 20 44 1 45 22 32 1 46 22 46 1 47 23 33 1 48 23 48 1 49 23 49 1 50 25 53 1 51 25 54 1 52 25 55 1 53 26 50 1 54 26 51 1 55 26 52 1 56 27 56 1 57 27 57 1 58 27 58 1 59 29 59 1 60 29 60 1 61 29 61 1 62 30 31 1 63 31 35 1 64 31 62 1 65 32 63 1 66 32 64 1 67 32 65 1 68 33 66 1 69 33 67 1 70 33 68 1 71 34 36 1 72 34 37 ar 73 35 70 1 74 35 71 1 75 35 72 1 76 37 73 1