@MOLECULE chaetoglobosin c 75 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7197 -4.2803 0.3596 O.3 1 UNL1111111111 -0.3734 2 O -0.2990 0.3359 1.9531 O.2 1 UNL1111111111 -0.5260 3 O 1.5093 -0.0780 -1.9018 O.2 1 UNL1111111111 -0.4579 4 O 3.0446 3.4630 0.3443 O.2 1 UNL1111111111 -0.4137 5 O 4.4646 2.7134 -2.4373 O.2 1 UNL1111111111 -0.3970 6 N -2.0398 -0.5003 0.7592 N.am 1 UNL1111111111 -0.5992 7 N -6.5189 0.2294 -0.1017 N.ar 1 UNL1111111111 -0.3729 8 C -0.5712 -3.6824 0.1637 C.3 1 UNL1111111111 0.1613 9 C 0.4825 -3.0298 1.0115 C.3 1 UNL1111111111 -0.0115 10 C -0.9199 -1.5409 -1.0991 C.3 1 UNL1111111111 -0.1427 11 C 0.1259 -0.8624 -0.1544 C.3 1 UNL1111111111 -0.1763 12 C -0.7279 -3.0685 -1.2200 C.3 1 UNL1111111111 -0.1266 13 C 1.1905 -1.8492 0.3749 C.3 1 UNL1111111111 -0.1259 14 C -2.3193 -1.1696 -0.5152 C.3 1 UNL1111111111 0.0854 15 C -0.7056 -0.2696 0.9876 C.2 1 UNL1111111111 0.5765 16 C -1.7051 -4.4262 0.7950 C.3 1 UNL1111111111 -0.4622 17 C -1.8278 -3.7098 -2.0632 C.3 1 UNL1111111111 -0.4461 18 C 0.8645 0.2278 -0.9312 C.2 1 UNL1111111111 0.4832 19 C 2.1440 -1.2093 1.3341 C.2 1 UNL1111111111 -0.2149 20 C -3.1055 -0.2443 -1.4751 C.3 1 UNL1111111111 -0.2945 21 C 0.7313 1.6470 -0.4594 C.3 1 UNL1111111111 -0.3637 22 C 3.4636 -1.3778 1.2161 C.2 1 UNL1111111111 -0.1186 23 C -4.3693 0.1840 -0.8445 C.ar 1 UNL1111111111 -0.1139 24 C 1.5438 2.6219 -1.3087 C.3 1 UNL1111111111 -0.3541 25 C 4.4515 -0.7428 2.1376 C.3 1 UNL1111111111 -0.2866 26 C -4.5434 1.3739 -0.0553 C.ar 1 UNL1111111111 -0.0939 27 C -5.5842 -0.4832 -0.8588 C.ar 1 UNL1111111111 -0.0495 28 C 5.5769 -0.0530 1.3315 C.3 1 UNL1111111111 -0.0821 29 C -5.9007 1.3753 0.3962 C.ar 1 UNL1111111111 0.1013 30 C 2.8897 2.8477 -0.6768 C.2 1 UNL1111111111 0.3844 31 C -3.6978 2.4259 0.3158 C.ar 1 UNL1111111111 -0.1099 32 C 4.9807 1.0788 0.5529 C.2 1 UNL1111111111 -0.1220 33 C 6.6575 0.4812 2.2791 C.3 1 UNL1111111111 -0.4539 34 C 4.0866 2.2347 -1.4003 C.2 1 UNL1111111111 0.3683 35 C -6.4116 2.3999 1.2065 C.ar 1 UNL1111111111 -0.2134 36 C 4.6869 1.0476 -0.7529 C.2 1 UNL1111111111 -0.1190 37 C -4.2035 3.4327 1.1147 C.ar 1 UNL1111111111 -0.1856 38 C -5.5465 3.4187 1.5544 C.ar 1 UNL1111111111 -0.1053 39 C 4.8968 -0.0865 -1.6891 C.3 1 UNL1111111111 -0.4357 40 H 0.4689 -3.0738 2.0998 H 1 UNL1111111111 0.1674 41 H -0.8176 -1.1173 -2.1266 H 1 UNL1111111111 0.1626 42 H 0.2449 -3.2396 -1.7676 H 1 UNL1111111111 0.1714 43 H 1.7679 -2.2287 -0.5201 H 1 UNL1111111111 0.1832 44 H -2.9318 -2.0839 -0.3081 H 1 UNL1111111111 0.1516 45 H -1.3973 -4.8973 1.7413 H 1 UNL1111111111 0.1668 46 H -2.5486 -3.7605 1.0211 H 1 UNL1111111111 0.1603 47 H -2.0699 -5.2369 0.1502 H 1 UNL1111111111 0.1600 48 H -2.8174 -3.6382 -1.5999 H 1 UNL1111111111 0.1469 49 H -1.8910 -3.2437 -3.0540 H 1 UNL1111111111 0.1485 50 H -1.6219 -4.7768 -2.2223 H 1 UNL1111111111 0.1536 51 H -2.7905 -0.1164 1.3058 H 1 UNL1111111111 0.3376 52 H 1.6969 -0.6099 2.1286 H 1 UNL1111111111 0.1835 53 H -3.2942 -0.7807 -2.4282 H 1 UNL1111111111 0.1585 54 H -2.4916 0.6396 -1.7488 H 1 UNL1111111111 0.1604 55 H -0.3401 1.9419 -0.4514 H 1 UNL1111111111 0.1774 56 H 1.0336 1.7174 0.6191 H 1 UNL1111111111 0.2171 57 H 3.9009 -1.9887 0.4256 H 1 UNL1111111111 0.1466 58 H 1.0172 3.5978 -1.3897 H 1 UNL1111111111 0.1774 59 H 1.6449 2.2529 -2.3536 H 1 UNL1111111111 0.1869 60 H 3.9681 -0.0086 2.8136 H 1 UNL1111111111 0.1570 61 H 4.8899 -1.5145 2.8041 H 1 UNL1111111111 0.1523 62 H -5.8511 -1.4023 -1.3444 H 1 UNL1111111111 0.1657 63 H 6.0458 -0.8045 0.6484 H 1 UNL1111111111 0.1438 64 H -7.4685 -0.0238 0.0380 H 1 UNL1111111111 0.3148 65 H -2.6644 2.4377 -0.0220 H 1 UNL1111111111 0.1531 66 H 4.7756 1.9731 1.1530 H 1 UNL1111111111 0.1682 67 H 6.2427 1.1689 3.0249 H 1 UNL1111111111 0.1508 68 H 7.1522 -0.3327 2.8193 H 1 UNL1111111111 0.1438 69 H 7.4320 1.0264 1.7261 H 1 UNL1111111111 0.1508 70 H -7.4423 2.3865 1.5419 H 1 UNL1111111111 0.1590 71 H -3.5627 4.2586 1.4206 H 1 UNL1111111111 0.1594 72 H -5.8976 4.2369 2.1836 H 1 UNL1111111111 0.1539 73 H 3.9325 -0.5417 -1.9783 H 1 UNL1111111111 0.1758 74 H 5.5220 -0.8845 -1.2702 H 1 UNL1111111111 0.1517 75 H 5.3808 0.2494 -2.6217 H 1 UNL1111111111 0.1698 @BOND 1 1 8 1 2 1 9 1 3 2 15 2 4 3 18 2 5 4 30 2 6 5 34 2 7 6 14 1 8 6 15 am 9 6 51 1 10 7 27 ar 11 7 29 ar 12 7 64 1 13 8 9 1 14 8 12 1 15 8 16 1 16 9 13 1 17 9 40 1 18 10 11 1 19 10 12 1 20 10 14 1 21 10 41 1 22 11 13 1 23 11 15 1 24 11 18 1 25 12 17 1 26 12 42 1 27 13 19 1 28 13 43 1 29 14 20 1 30 14 44 1 31 16 45 1 32 16 46 1 33 16 47 1 34 17 48 1 35 17 49 1 36 17 50 1 37 18 21 1 38 19 22 2 39 19 52 1 40 20 23 1 41 20 53 1 42 20 54 1 43 21 24 1 44 21 55 1 45 21 56 1 46 22 25 1 47 22 57 1 48 23 26 ar 49 23 27 ar 50 24 30 1 51 24 58 1 52 24 59 1 53 25 28 1 54 25 60 1 55 25 61 1 56 26 29 ar 57 26 31 ar 58 27 62 1 59 28 32 1 60 28 33 1 61 28 63 1 62 29 35 ar 63 30 34 1 64 31 37 ar 65 31 65 1 66 32 36 2 67 32 66 1 68 33 67 1 69 33 68 1 70 33 69 1 71 34 36 1 72 35 38 ar 73 35 70 1 74 36 39 1 75 37 38 ar 76 37 71 1 77 38 72 1 78 39 73 1 79 39 74 1 80 39 75 1