@MOLECULE 19,20-epoxycytochalasin q 75 80 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.5121 -3.5265 -1.4827 O.3 1 UNL11 -0.3789 2 O -2.2576 1.9564 1.7725 O.3 1 UNL11 -0.3650 3 O -1.2881 -0.9165 1.7067 O.3 1 UNL11 -0.4396 4 O 0.0127 1.5874 -1.5840 O.2 1 UNL11 -0.5364 5 O -4.0109 2.7430 -0.1219 O.3 1 UNL11 -0.5435 6 O -5.4594 -0.4125 -0.0826 O.2 1 UNL11 -0.4800 7 O 0.1359 -0.9350 3.4503 O.2 1 UNL11 -0.5203 8 N 2.0669 0.9318 -0.8913 N.am 1 UNL11 -0.6006 9 C 0.2268 -0.3298 -0.0439 C.3 1 UNL11 -0.0850 10 C 1.6403 -2.7005 -1.1587 C.3 1 UNL11 0.1606 11 C 1.5506 -0.9039 0.5743 C.3 1 UNL11 -0.1695 12 C 0.4063 -2.1323 -1.7924 C.3 1 UNL11 -0.0114 13 C 1.7549 -2.4116 0.3289 C.3 1 UNL11 -0.1222 14 C -0.5450 -1.3738 -0.8814 C.3 1 UNL11 -0.1360 15 C -0.6526 0.2155 1.1076 C.3 1 UNL11 0.0986 16 C 2.7155 -0.0524 -0.0200 C.3 1 UNL11 0.0910 17 C 0.6977 0.8341 -0.9284 C.2 1 UNL11 0.5773 18 C -1.7857 1.1328 0.6950 C.3 1 UNL11 -0.0222 19 C 2.8620 -2.9820 -1.9768 C.3 1 UNL11 -0.4607 20 C 3.0541 -2.9061 0.9613 C.3 1 UNL11 -0.4471 21 C -3.1522 0.9640 1.2627 C.3 1 UNL11 -0.0300 22 C -1.6458 -0.7954 -1.7166 C.2 1 UNL11 -0.1857 23 C 3.5308 0.6448 1.0900 C.3 1 UNL11 -0.3316 24 C -4.3577 1.5535 0.5389 C.3 1 UNL11 0.1964 25 C -2.9089 -1.2120 -1.5958 C.2 1 UNL11 -0.1367 26 C 4.7553 1.2772 0.5072 C.ar 1 UNL11 0.0134 27 C -4.8386 0.5332 -0.5107 C.2 1 UNL11 0.4519 28 C -4.0214 -0.7273 -2.4705 C.3 1 UNL11 -0.2740 29 C -4.5839 0.6361 -1.9994 C.3 1 UNL11 -0.1552 30 C -5.4832 1.8547 1.5279 C.3 1 UNL11 -0.4879 31 C -0.8290 -1.3898 2.8937 C.2 1 UNL11 0.6400 32 C 5.8779 0.4942 0.2266 C.ar 1 UNL11 -0.1845 33 C 4.7758 2.6447 0.2278 C.ar 1 UNL11 -0.1843 34 C -3.6860 1.7742 -2.4627 C.3 1 UNL11 -0.4349 35 C -1.6956 -2.5191 3.3277 C.3 1 UNL11 -0.5116 36 C 7.0125 1.0777 -0.3311 C.ar 1 UNL11 -0.1336 37 C 5.9127 3.2253 -0.3303 C.ar 1 UNL11 -0.1319 38 C 7.0317 2.4435 -0.6106 C.ar 1 UNL11 -0.1614 39 H 1.5303 -0.7564 1.6838 H 1 UNL11 0.1788 40 H 0.3589 -1.9051 -2.8570 H 1 UNL11 0.1619 41 H 0.9099 -2.9561 0.8385 H 1 UNL11 0.1625 42 H -0.9863 -2.1213 -0.1579 H 1 UNL11 0.1848 43 H -0.0202 0.7487 1.8672 H 1 UNL11 0.1737 44 H 3.4018 -0.6858 -0.6397 H 1 UNL11 0.1496 45 H -1.6573 1.6645 -0.2632 H 1 UNL11 0.2109 46 H 2.5964 -3.2800 -3.0028 H 1 UNL11 0.1661 47 H 3.4487 -3.8106 -1.5568 H 1 UNL11 0.1617 48 H 3.5171 -2.1044 -2.0512 H 1 UNL11 0.1579 49 H 2.6002 1.6346 -1.3655 H 1 UNL11 0.3314 50 H 3.9432 -2.4476 0.5162 H 1 UNL11 0.1476 51 H 3.1552 -3.9931 0.8471 H 1 UNL11 0.1519 52 H 3.0762 -2.6920 2.0376 H 1 UNL11 0.1524 53 H -3.3837 0.1412 1.9465 H 1 UNL11 0.1768 54 H -1.3450 -0.0456 -2.4494 H 1 UNL11 0.1750 55 H 2.9020 1.3920 1.6173 H 1 UNL11 0.1699 56 H 3.8079 -0.0966 1.8688 H 1 UNL11 0.1662 57 H -3.2083 -1.9455 -0.8463 H 1 UNL11 0.1515 58 H -4.8447 -1.4734 -2.4785 H 1 UNL11 0.1520 59 H -3.6851 -0.6422 -3.5236 H 1 UNL11 0.1520 60 H -5.5941 0.7769 -2.4751 H 1 UNL11 0.1586 61 H -6.2830 2.4280 1.0408 H 1 UNL11 0.1663 62 H -5.9327 0.9335 1.9231 H 1 UNL11 0.1731 63 H -5.1229 2.4482 2.3760 H 1 UNL11 0.1598 64 H -3.4817 3.3202 0.4790 H 1 UNL11 0.3375 65 H 5.8686 -0.5707 0.4466 H 1 UNL11 0.1503 66 H 3.9064 3.2611 0.4512 H 1 UNL11 0.1588 67 H -2.7135 1.7735 -1.9485 H 1 UNL11 0.1709 68 H -4.1433 2.7570 -2.2823 H 1 UNL11 0.1624 69 H -3.4792 1.7085 -3.5369 H 1 UNL11 0.1417 70 H -2.5144 -2.7286 2.6188 H 1 UNL11 0.1933 71 H -1.1054 -3.4425 3.4397 H 1 UNL11 0.1859 72 H -2.1509 -2.3030 4.3081 H 1 UNL11 0.1879 73 H 7.8872 0.4672 -0.5472 H 1 UNL11 0.1483 74 H 5.9270 4.2927 -0.5455 H 1 UNL11 0.1520 75 H 7.9199 2.8982 -1.0441 H 1 UNL11 0.1511 @BOND 1 69 34 1 2 59 28 1 3 46 19 1 4 40 12 1 5 58 28 1 6 60 29 1 7 28 29 1 8 28 25 1 9 34 68 1 10 34 29 1 11 34 67 1 12 54 22 1 13 48 19 1 14 29 27 1 15 19 47 1 16 19 10 1 17 12 1 1 18 12 10 1 19 12 14 1 20 22 25 2 21 22 14 1 22 25 57 1 23 4 17 2 24 1 10 1 25 49 8 1 26 10 13 1 27 75 38 1 28 17 8 am 29 17 9 1 30 8 16 1 31 14 42 1 32 14 9 1 33 44 16 1 34 38 36 ar 35 38 37 ar 36 73 36 1 37 74 37 1 38 27 6 2 39 27 24 1 40 36 32 ar 41 37 33 ar 42 45 18 1 43 5 64 1 44 5 24 1 45 9 11 1 46 9 15 1 47 16 11 1 48 16 23 1 49 32 65 1 50 32 26 ar 51 33 66 1 52 33 26 ar 53 13 11 1 54 13 41 1 55 13 20 1 56 26 23 1 57 50 20 1 58 24 21 1 59 24 30 1 60 11 39 1 61 18 15 1 62 18 21 1 63 18 2 1 64 51 20 1 65 20 52 1 66 61 30 1 67 23 55 1 68 23 56 1 69 15 3 1 70 15 43 1 71 21 2 1 72 21 53 1 73 30 62 1 74 30 63 1 75 3 31 1 76 70 35 1 77 31 35 1 78 31 7 2 79 35 71 1 80 35 72 1