@MOLECULE halichonadin f 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.1973 0.9674 1.4372 N.3 1 UNL1111111111 -0.6735 2 C 1.1998 -0.0665 -0.5951 C.3 1 UNL1111111111 -0.2057 3 C 2.3890 0.6590 0.0258 C.3 1 UNL1111111111 0.0280 4 C 1.2824 1.4505 -0.6641 C.3 1 UNL1111111111 -0.2020 5 C 0.1144 -0.6853 0.2452 C.3 1 UNL1111111111 -0.1149 6 C -1.2650 -0.4199 -0.4190 C.3 1 UNL1111111111 -0.1383 7 C 0.2834 2.2875 0.0962 C.3 1 UNL1111111111 -0.2536 8 C 0.2253 -2.2278 0.4392 C.3 1 UNL1111111111 -0.0851 9 C -1.9399 0.9178 -0.0190 C.3 1 UNL1111111111 0.2311 10 C -1.1159 2.1450 -0.5166 C.3 1 UNL1111111111 -0.3396 11 C -2.1100 -1.6537 -0.0508 C.3 1 UNL1111111111 -0.2756 12 C 2.5834 0.7144 1.5181 C.3 1 UNL1111111111 -0.4352 13 C 3.7087 0.5532 -0.7069 C.3 1 UNL1111111111 -0.4406 14 C -1.1146 -2.8204 -0.0506 C.3 1 UNL1111111111 -0.2842 15 C 1.4125 -2.8798 -0.2643 C.3 1 UNL1111111111 -0.4510 16 C -3.3234 1.0036 -0.7102 C.3 1 UNL1111111111 -0.4675 17 H 1.3798 -0.6193 -1.5242 H 1 UNL1111111111 0.1581 18 H 1.5267 1.8962 -1.6359 H 1 UNL1111111111 0.1530 19 H 0.1276 -0.2329 1.2638 H 1 UNL1111111111 0.1296 20 H -1.1237 -0.3996 -1.5251 H 1 UNL1111111111 0.1417 21 H 0.5981 3.3511 0.0645 H 1 UNL1111111111 0.1400 22 H 0.2657 2.0285 1.1701 H 1 UNL1111111111 0.1358 23 H 0.3245 -2.4215 1.5338 H 1 UNL1111111111 0.1267 24 H -1.6956 3.0645 -0.3114 H 1 UNL1111111111 0.1380 25 H -1.0316 2.0886 -1.6183 H 1 UNL1111111111 0.1514 26 H -2.9343 -1.8138 -0.7598 H 1 UNL1111111111 0.1325 27 H -2.5740 -1.5236 0.9446 H 1 UNL1111111111 0.1591 28 H 3.2067 1.5733 1.8008 H 1 UNL1111111111 0.1517 29 H 3.0821 -0.1950 1.8801 H 1 UNL1111111111 0.1522 30 H 1.6417 0.8036 2.0715 H 1 UNL1111111111 0.1426 31 H 3.5817 0.5045 -1.7946 H 1 UNL1111111111 0.1452 32 H 4.2554 -0.3484 -0.4032 H 1 UNL1111111111 0.1488 33 H 4.3475 1.4192 -0.4926 H 1 UNL1111111111 0.1493 34 H -1.4503 -3.6461 0.5933 H 1 UNL1111111111 0.1322 35 H -1.0114 -3.2395 -1.0655 H 1 UNL1111111111 0.1366 36 H 1.3398 -2.7954 -1.3540 H 1 UNL1111111111 0.1442 37 H 1.4748 -3.9461 -0.0207 H 1 UNL1111111111 0.1408 38 H 2.3570 -2.4124 0.0403 H 1 UNL1111111111 0.1483 39 H -4.0050 0.2509 -0.2932 H 1 UNL1111111111 0.1633 40 H -3.2436 0.8343 -1.7861 H 1 UNL1111111111 0.1421 41 H -3.7940 1.9773 -0.5485 H 1 UNL1111111111 0.1426 42 H -2.4626 1.8881 1.7429 H 1 UNL1111111111 0.2514 43 H -1.4138 0.6513 1.9819 H 1 UNL1111111111 0.2502 @BOND 1 1 9 1 2 1 42 1 3 1 43 1 4 2 3 1 5 2 4 1 6 2 5 1 7 2 17 1 8 3 4 1 9 3 12 1 10 3 13 1 11 4 7 1 12 4 18 1 13 5 6 1 14 5 8 1 15 5 19 1 16 6 9 1 17 6 11 1 18 6 20 1 19 7 10 1 20 7 21 1 21 7 22 1 22 8 14 1 23 8 15 1 24 8 23 1 25 9 10 1 26 9 16 1 27 10 24 1 28 10 25 1 29 11 14 1 30 11 26 1 31 11 27 1 32 12 28 1 33 12 29 1 34 12 30 1 35 13 31 1 36 13 32 1 37 13 33 1 38 14 34 1 39 14 35 1 40 15 36 1 41 15 37 1 42 15 38 1 43 16 39 1 44 16 40 1 45 16 41 1