@MOLECULE aphidicolin 58 61 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.7543 1.6290 -0.7210 O.3 1 UNL11111111 -0.5754 2 O 4.6843 1.4586 -0.3430 O.3 1 UNL11111111 -0.5817 3 O 3.3459 1.2254 2.0201 O.3 1 UNL11111111 -0.5735 4 O -5.4121 1.0768 1.3841 O.3 1 UNL11111111 -0.5396 5 C -0.7172 -0.2667 -0.5256 C.3 1 UNL11111111 0.0392 6 C 0.7908 -0.1498 -0.9122 C.3 1 UNL11111111 0.0569 7 C -0.9954 -1.7322 -0.0818 C.3 1 UNL11111111 -0.1196 8 C 1.6058 -0.5033 0.3747 C.3 1 UNL11111111 -0.1407 9 C -1.7552 -0.1181 -1.6621 C.3 1 UNL11111111 -0.2934 10 C -3.0226 -0.6838 -0.9752 C.3 1 UNL11111111 -0.1659 11 C -2.5271 -1.8952 -0.1394 C.3 1 UNL11111111 -0.2899 12 C -1.0908 0.8000 0.5401 C.3 1 UNL11111111 -0.2809 13 C -0.2736 -2.0343 1.2233 C.3 1 UNL11111111 -0.2836 14 C 3.1441 -0.3496 0.2318 C.3 1 UNL11111111 -0.0053 15 C 1.2357 -1.8886 0.9501 C.3 1 UNL11111111 -0.2797 16 C -3.5540 0.4052 -0.0257 C.3 1 UNL11111111 0.2476 17 C 1.1104 1.2894 -1.4010 C.3 1 UNL11111111 -0.2980 18 C -2.5308 0.7340 1.0677 C.3 1 UNL11111111 -0.2830 19 C 1.1358 -1.1010 -2.0731 C.3 1 UNL11111111 -0.4651 20 C 3.4730 0.8408 -0.7153 C.3 1 UNL11111111 0.1684 21 C 2.3483 1.8809 -0.7324 C.3 1 UNL11111111 -0.3307 22 C 3.7446 -0.0867 1.6371 C.3 1 UNL11111111 -0.0177 23 C 3.8583 -1.6022 -0.2958 C.3 1 UNL11111111 -0.4692 24 C -4.9299 0.0289 0.5715 C.3 1 UNL11111111 -0.0707 25 H -0.5795 -2.4219 -0.8612 H 1 UNL11111111 0.1366 26 H 1.3017 0.2607 1.1449 H 1 UNL11111111 0.1609 27 H -1.4892 -0.7040 -2.5528 H 1 UNL11111111 0.1352 28 H -1.8754 0.9247 -1.9897 H 1 UNL11111111 0.1533 29 H -3.7863 -0.9838 -1.7124 H 1 UNL11111111 0.1293 30 H -2.8039 -2.8445 -0.6227 H 1 UNL11111111 0.1327 31 H -2.9736 -1.9263 0.8643 H 1 UNL11111111 0.1419 32 H -0.9351 1.8060 0.0952 H 1 UNL11111111 0.1496 33 H -0.3966 0.7445 1.4001 H 1 UNL11111111 0.1406 34 H -0.5016 -3.0552 1.5756 H 1 UNL11111111 0.1322 35 H -0.5953 -1.3549 2.0316 H 1 UNL11111111 0.1444 36 H 1.7936 -2.0607 1.8882 H 1 UNL11111111 0.1295 37 H 1.5556 -2.6863 0.2545 H 1 UNL11111111 0.1388 38 H 0.2486 1.9648 -1.2354 H 1 UNL11111111 0.1474 39 H 1.2462 1.2919 -2.4997 H 1 UNL11111111 0.1421 40 H -2.6056 -0.0124 1.8807 H 1 UNL11111111 0.1462 41 H -2.7979 1.7068 1.5315 H 1 UNL11111111 0.1584 42 H 1.0798 -2.1532 -1.7771 H 1 UNL11111111 0.1442 43 H 0.4586 -0.9607 -2.9224 H 1 UNL11111111 0.1434 44 H 2.1531 -0.9202 -2.4395 H 1 UNL11111111 0.1500 45 H 3.7050 0.4829 -1.7440 H 1 UNL11111111 0.1344 46 H 2.6882 2.7850 -1.2714 H 1 UNL11111111 0.1496 47 H 2.1211 2.2165 0.2987 H 1 UNL11111111 0.1619 48 H 4.8502 -0.1067 1.6122 H 1 UNL11111111 0.1282 49 H 3.3754 -0.8120 2.3788 H 1 UNL11111111 0.1117 50 H 3.8510 -2.4220 0.4289 H 1 UNL11111111 0.1422 51 H 3.3971 -1.9780 -1.2146 H 1 UNL11111111 0.1538 52 H 4.9088 -1.3783 -0.5295 H 1 UNL11111111 0.1577 53 H -4.8786 -0.8364 1.2536 H 1 UNL11111111 0.1439 54 H -5.6781 -0.1672 -0.2156 H 1 UNL11111111 0.1186 55 H -4.2014 1.4841 -1.5754 H 1 UNL11111111 0.3143 56 H 4.5827 1.9072 0.5239 H 1 UNL11111111 0.3343 57 H 3.5084 1.3668 2.9703 H 1 UNL11111111 0.3152 58 H -5.2041 1.9407 0.9583 H 1 UNL11111111 0.3289 @BOND 1 43 19 1 2 27 9 1 3 39 17 1 4 44 19 1 5 19 42 1 6 19 6 1 7 28 9 1 8 45 20 1 9 29 10 1 10 9 10 1 11 9 5 1 12 55 1 1 13 17 38 1 14 17 6 1 15 17 21 1 16 46 21 1 17 51 23 1 18 10 11 1 19 10 16 1 20 6 5 1 21 6 8 1 22 25 7 1 23 21 20 1 24 21 47 1 25 1 16 1 26 20 2 1 27 20 14 1 28 30 11 1 29 52 23 1 30 5 7 1 31 5 12 1 32 2 56 1 33 23 14 1 34 23 50 1 35 54 24 1 36 11 7 1 37 11 31 1 38 7 13 1 39 16 24 1 40 16 18 1 41 32 12 1 42 14 8 1 43 14 22 1 44 37 15 1 45 8 15 1 46 8 26 1 47 12 18 1 48 12 33 1 49 24 53 1 50 24 4 1 51 15 13 1 52 15 36 1 53 58 4 1 54 18 41 1 55 18 40 1 56 13 34 1 57 13 35 1 58 48 22 1 59 22 3 1 60 22 49 1 61 3 57 1