@MOLECULE myrocin a 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8618 -0.2743 1.8458 O.3 1 UNL1111111111 -0.5447 2 O 1.7666 2.6607 0.1260 O.2 1 UNL1111111111 -0.4470 3 O -1.6637 -2.7609 0.0383 O.2 1 UNL1111111111 -0.4410 4 O -0.7839 2.9875 -0.6872 O.2 1 UNL1111111111 -0.4496 5 O 5.0291 0.4313 -0.2815 O.3 1 UNL1111111111 -0.5621 6 O 3.4465 0.1116 -1.8061 O.2 1 UNL1111111111 -0.5122 7 C 0.5056 -0.7929 -0.0922 C.3 1 UNL1111111111 -0.1076 8 C 1.0634 -2.2147 -0.1546 C.3 1 UNL1111111111 -0.1194 9 C 0.6457 -1.5200 -1.4229 C.3 1 UNL1111111111 -0.3036 10 C -0.8876 -0.4987 0.4434 C.3 1 UNL1111111111 0.2148 11 C 1.4343 0.3345 0.1743 C.2 1 UNL1111111111 -0.0841 12 C 2.5332 -2.4266 0.1209 C.3 1 UNL1111111111 -0.2760 13 C 2.8530 0.0578 0.5850 C.3 1 UNL1111111111 0.0338 14 C 3.0380 -1.3817 1.1159 C.3 1 UNL1111111111 -0.2737 15 C -1.4253 0.7697 -0.1751 C.2 1 UNL1111111111 -0.2245 16 C 0.9591 1.5826 -0.0104 C.2 1 UNL1111111111 0.1165 17 C -1.9380 -1.6274 0.3200 C.2 1 UNL1111111111 0.4645 18 C -0.4660 1.8714 -0.3371 C.2 1 UNL1111111111 0.4443 19 C 3.3174 1.0325 1.6767 C.3 1 UNL1111111111 -0.4425 20 C -3.3412 -1.1870 0.6221 C.3 1 UNL1111111111 -0.3936 21 C -3.7766 -0.0947 -0.3753 C.3 1 UNL1111111111 0.0622 22 C -2.7080 0.9530 -0.5184 C.2 1 UNL1111111111 -0.0194 23 C 3.7379 0.2053 -0.6438 C.2 1 UNL1111111111 0.6350 24 C -3.9972 -0.7038 -1.7711 C.3 1 UNL1111111111 -0.4561 25 C -5.0587 0.5122 0.1382 C.2 1 UNL1111111111 -0.1537 26 C -5.0955 1.5112 1.0183 C.2 1 UNL1111111111 -0.3032 27 H 0.4394 -3.0354 0.2247 H 1 UNL1111111111 0.1830 28 H 1.4031 -1.1722 -2.1299 H 1 UNL1111111111 0.1880 29 H -0.2431 -1.8489 -1.9535 H 1 UNL1111111111 0.1639 30 H 3.1154 -2.3807 -0.8232 H 1 UNL1111111111 0.1581 31 H 2.7093 -3.4453 0.5184 H 1 UNL1111111111 0.1461 32 H 2.4990 -1.4866 2.0777 H 1 UNL1111111111 0.1513 33 H 4.1070 -1.5581 1.3484 H 1 UNL1111111111 0.1537 34 H 4.2684 0.7134 2.1222 H 1 UNL1111111111 0.1591 35 H 3.4923 2.0436 1.2788 H 1 UNL1111111111 0.1783 36 H 2.5746 1.1225 2.4758 H 1 UNL1111111111 0.1525 37 H -4.0415 -2.0442 0.5970 H 1 UNL1111111111 0.1751 38 H -3.3771 -0.7945 1.6649 H 1 UNL1111111111 0.1947 39 H 0.0412 -0.4103 2.2077 H 1 UNL1111111111 0.3353 40 H -3.0445 1.9030 -0.9538 H 1 UNL1111111111 0.1776 41 H 1.2843 3.4935 -0.1508 H 1 UNL1111111111 0.3484 42 H -4.7509 -1.4993 -1.7470 H 1 UNL1111111111 0.1561 43 H -4.3372 0.0511 -2.4897 H 1 UNL1111111111 0.1560 44 H -3.0750 -1.1479 -2.1675 H 1 UNL1111111111 0.1611 45 H -5.9667 0.0544 -0.2515 H 1 UNL1111111111 0.1495 46 H 5.6398 0.5316 -1.0520 H 1 UNL1111111111 0.3513 47 H -6.0132 1.9367 1.3959 H 1 UNL1111111111 0.1472 48 H -4.2175 1.9845 1.4361 H 1 UNL1111111111 0.1567 @BOND 1 1 10 1 2 1 39 1 3 2 16 1 4 2 41 1 5 3 17 2 6 4 18 2 7 5 23 1 8 5 46 1 9 6 23 2 10 7 8 1 11 7 9 1 12 7 10 1 13 7 11 1 14 8 9 1 15 8 12 1 16 8 27 1 17 9 28 1 18 9 29 1 19 10 15 1 20 10 17 1 21 11 13 1 22 11 16 2 23 12 14 1 24 12 30 1 25 12 31 1 26 13 14 1 27 13 19 1 28 13 23 1 29 14 32 1 30 14 33 1 31 15 18 1 32 15 22 2 33 16 18 1 34 17 20 1 35 19 34 1 36 19 35 1 37 19 36 1 38 20 21 1 39 20 37 1 40 20 38 1 41 21 22 1 42 21 24 1 43 21 25 1 44 22 40 1 45 24 42 1 46 24 43 1 47 24 44 1 48 25 26 2 49 25 45 1 50 26 47 1 51 26 48 1