@MOLECULE batzelladine d 72 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4899 -0.8203 -1.5001 O.3 1 UNL1111111111 -0.4354 2 O 4.0974 -2.3230 0.0621 O.2 1 UNL1111111111 -0.5001 3 N -0.1879 -3.0503 0.3069 N.pl3 1 UNL1111111111 -0.4967 4 N -1.8285 -2.3177 1.8469 N.pl3 1 UNL1111111111 -0.5348 5 N 0.2601 -1.2388 1.8425 N.2 1 UNL1111111111 -0.5946 6 N 6.6268 3.1333 -0.3125 N.pl3 1 UNL1111111111 -0.2384 7 N 7.0327 4.5866 1.5567 N.pl3 1 UNL1111111111 -0.1353 8 N 8.6248 4.3093 -0.1736 N.pl3 1 UNL1111111111 -0.0641 9 C 1.1845 -3.0311 -0.2274 C.3 1 UNL1111111111 0.0808 10 C -1.1672 -3.1556 -0.8014 C.3 1 UNL1111111111 0.0767 11 C 1.0487 -3.5602 -1.6801 C.3 1 UNL1111111111 -0.2980 12 C -0.4177 -4.0353 -1.8184 C.3 1 UNL1111111111 -0.2831 13 C 1.7862 -1.6127 -0.1233 C.3 1 UNL1111111111 -0.3307 14 C -2.4499 -3.6867 -0.1585 C.3 1 UNL1111111111 -0.3272 15 C -2.9230 -2.6738 0.9164 C.3 1 UNL1111111111 0.0855 16 C -0.5357 -2.1271 1.3196 C.cat 1 UNL1111111111 0.5149 17 C 1.6248 -1.1095 1.3552 C.3 1 UNL1111111111 0.1231 18 C -3.5338 -1.4193 0.2475 C.3 1 UNL1111111111 -0.3380 19 C 3.2448 -1.6595 -0.4631 C.2 1 UNL1111111111 0.6085 20 C 2.0062 0.3745 1.4463 C.3 1 UNL1111111111 -0.4490 21 C -4.3630 -0.5987 1.2414 C.3 1 UNL1111111111 -0.2635 22 C -4.9709 0.6263 0.5449 C.3 1 UNL1111111111 -0.2648 23 C -5.8037 1.4538 1.5324 C.3 1 UNL1111111111 -0.2692 24 C 4.8545 -0.6077 -1.8635 C.3 1 UNL1111111111 -0.0069 25 C -6.4239 2.6863 0.8599 C.3 1 UNL1111111111 -0.2736 26 C 5.4830 0.3960 -0.9005 C.3 1 UNL1111111111 -0.3087 27 C -7.6100 2.3120 -0.0398 C.3 1 UNL1111111111 -0.2782 28 C 4.7643 1.7454 -0.9701 C.3 1 UNL1111111111 -0.2551 29 C -8.1991 3.5636 -0.7009 C.3 1 UNL1111111111 -0.2496 30 C 5.3044 2.7267 0.0876 C.3 1 UNL1111111111 -0.1540 31 C -9.3844 3.2077 -1.6151 C.3 1 UNL1111111111 -0.5252 32 C -9.9417 4.3794 -2.2620 C.3 1 UNL1111111111 0.1249 33 C 7.3526 3.9792 0.3753 C.cat 1 UNL1111111111 0.1807 34 H 1.7921 -3.7403 0.3979 H 1 UNL1111111111 0.1718 35 H -1.3686 -2.1563 -1.2707 H 1 UNL1111111111 0.1219 36 H 1.2802 -2.7742 -2.4173 H 1 UNL1111111111 0.1501 37 H 1.7559 -4.3834 -1.8684 H 1 UNL1111111111 0.1563 38 H -0.5101 -5.1053 -1.5646 H 1 UNL1111111111 0.1569 39 H -0.7996 -3.9107 -2.8405 H 1 UNL1111111111 0.1446 40 H 1.2392 -0.9144 -0.8014 H 1 UNL1111111111 0.1857 41 H -2.2514 -4.6663 0.3248 H 1 UNL1111111111 0.1750 42 H -3.2368 -3.8595 -0.9090 H 1 UNL1111111111 0.1499 43 H -3.7050 -3.1743 1.5519 H 1 UNL1111111111 0.1517 44 H 2.2998 -1.7193 2.0170 H 1 UNL1111111111 0.1584 45 H -2.0905 -1.6254 2.5504 H 1 UNL1111111111 0.3096 46 H -2.7324 -0.7902 -0.1832 H 1 UNL1111111111 0.1487 47 H -4.1686 -1.7240 -0.6054 H 1 UNL1111111111 0.1508 48 H 1.3714 0.9953 0.8059 H 1 UNL1111111111 0.1520 49 H 1.8623 0.7354 2.4759 H 1 UNL1111111111 0.1711 50 H 3.0510 0.5345 1.1672 H 1 UNL1111111111 0.1403 51 H -5.1658 -1.2226 1.6774 H 1 UNL1111111111 0.1380 52 H -3.7349 -0.2692 2.0909 H 1 UNL1111111111 0.1386 53 H -5.5979 0.3036 -0.3036 H 1 UNL1111111111 0.1347 54 H -4.1694 1.2534 0.1103 H 1 UNL1111111111 0.1406 55 H -6.5973 0.8280 1.9810 H 1 UNL1111111111 0.1371 56 H -5.1642 1.7790 2.3762 H 1 UNL1111111111 0.1392 57 H 4.7577 -0.2181 -2.8933 H 1 UNL1111111111 0.1412 58 H 5.3988 -1.5691 -1.8726 H 1 UNL1111111111 0.1420 59 H -5.6553 3.2224 0.2720 H 1 UNL1111111111 0.1397 60 H -6.7587 3.4009 1.6367 H 1 UNL1111111111 0.1372 61 H 6.5585 0.5248 -1.1402 H 1 UNL1111111111 0.1613 62 H 5.4538 -0.0120 0.1305 H 1 UNL1111111111 0.1607 63 H -8.3832 1.7916 0.5548 H 1 UNL1111111111 0.1368 64 H -7.2862 1.5905 -0.8122 H 1 UNL1111111111 0.1364 65 H 4.8765 2.1856 -1.9817 H 1 UNL1111111111 0.1557 66 H 3.6744 1.6057 -0.8210 H 1 UNL1111111111 0.1588 67 H -7.4182 4.0864 -1.2860 H 1 UNL1111111111 0.1400 68 H -8.5280 4.2824 0.0715 H 1 UNL1111111111 0.1408 69 H -9.0781 2.4562 -2.3765 H 1 UNL1111111111 0.1799 70 H -10.1802 2.7048 -1.0383 H 1 UNL1111111111 0.1838 71 H 5.2964 2.2518 1.1005 H 1 UNL1111111111 0.1735 72 H 4.6182 3.6076 0.1713 H 1 UNL1111111111 0.1680 @BOND 1 8 33 1 2 33 7 1 3 33 6 2 4 6 30 1 5 61 26 1 6 30 71 1 7 30 72 1 8 30 28 1 9 65 28 1 10 26 62 1 11 26 28 1 12 26 24 1 13 28 66 1 14 58 24 1 15 57 24 1 16 24 1 1 17 1 19 1 18 2 19 2 19 50 20 1 20 19 13 1 21 20 49 1 22 20 48 1 23 20 17 1 24 44 17 1 25 13 17 1 26 13 40 1 27 13 9 1 28 17 5 1 29 36 11 1 30 37 11 1 31 34 9 1 32 9 11 1 33 9 3 1 34 11 12 1 35 5 16 2 36 3 16 1 37 3 10 1 38 12 39 1 39 12 38 1 40 12 10 1 41 16 4 1 42 35 10 1 43 10 14 1 44 4 45 1 45 4 15 1 46 46 18 1 47 14 41 1 48 14 15 1 49 14 42 1 50 15 18 1 51 15 43 1 52 54 22 1 53 18 47 1 54 18 21 1 55 52 21 1 56 21 22 1 57 21 51 1 58 59 25 1 59 22 53 1 60 22 23 1 61 56 23 1 62 23 25 1 63 23 55 1 64 25 60 1 65 25 27 1 66 67 29 1 67 64 27 1 68 27 29 1 69 27 63 1 70 29 68 1 71 29 31 1 72 69 31 1 73 31 32 1 74 31 70 1