@MOLECULE e-prodigiosin 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3060 -0.4703 0.7104 O.3 1 UNL1111111111 -0.2197 2 N 1.8460 2.3405 0.6821 N.ar 1 UNL1111111111 -0.3290 3 N -2.5476 1.2671 -0.4625 N.ar 1 UNL1111111111 -0.5026 4 N -5.1137 -1.3088 0.4451 N.2 1 UNL1111111111 -0.3450 5 C 4.6008 0.5535 -1.0187 C.3 1 UNL1111111111 -0.2534 6 C 4.8076 -0.7955 -0.3030 C.3 1 UNL1111111111 -0.2628 7 C 3.3569 1.2067 -0.5565 C.ar 1 UNL1111111111 -0.0882 8 C 3.7583 -1.8211 -0.7489 C.3 1 UNL1111111111 -0.2737 9 C 3.1790 1.9378 0.6213 C.ar 1 UNL1111111111 0.0544 10 C 2.1007 1.1593 -1.2272 C.ar 1 UNL1111111111 -0.2271 11 C 1.1811 1.8535 -0.4424 C.ar 1 UNL1111111111 0.0358 12 C 3.8962 -3.1278 0.0410 C.3 1 UNL1111111111 -0.2536 13 C -0.2345 2.0793 -0.6544 C.2 1 UNL1111111111 -0.2203 14 C 4.1345 2.2906 1.6884 C.3 1 UNL1111111111 -0.4392 15 C -1.1438 1.1645 -0.2857 C.ar 1 UNL1111111111 0.1644 16 C 2.8680 -4.1575 -0.4289 C.3 1 UNL1111111111 -0.4396 17 C -0.9481 -0.1531 0.3968 C.ar 1 UNL1111111111 0.2233 18 C -3.1850 0.1063 0.0055 C.ar 1 UNL1111111111 0.3376 19 C -2.1490 -0.7675 0.5633 C.ar 1 UNL1111111111 -0.3572 20 C -4.5289 -0.1119 -0.0636 C.2 1 UNL1111111111 -0.1150 21 C -5.5939 0.7279 -0.6110 C.2 1 UNL1111111111 -0.1483 22 C -6.7649 0.0477 -0.4301 C.2 1 UNL1111111111 -0.2374 23 C -6.4135 -1.2159 0.2321 C.2 1 UNL1111111111 0.0089 24 C 0.4599 -1.7353 1.3623 C.3 1 UNL1111111111 -0.2245 25 H 4.5727 0.3953 -2.1167 H 1 UNL1111111111 0.1481 26 H 5.4769 1.2095 -0.8385 H 1 UNL1111111111 0.1394 27 H 4.7484 -0.6452 0.7910 H 1 UNL1111111111 0.1355 28 H 5.8237 -1.1762 -0.5103 H 1 UNL1111111111 0.1303 29 H 2.7428 -1.3959 -0.6130 H 1 UNL1111111111 0.1527 30 H 3.8552 -2.0169 -1.8323 H 1 UNL1111111111 0.1376 31 H 1.9075 0.6736 -2.1578 H 1 UNL1111111111 0.1633 32 H 1.4267 2.8524 1.4211 H 1 UNL1111111111 0.3063 33 H 3.7743 -2.9325 1.1224 H 1 UNL1111111111 0.1274 34 H 4.9179 -3.5354 -0.0776 H 1 UNL1111111111 0.1326 35 H -0.5057 3.0127 -1.1492 H 1 UNL1111111111 0.1782 36 H 3.8295 1.8879 2.6659 H 1 UNL1111111111 0.1566 37 H 5.1352 1.8819 1.4732 H 1 UNL1111111111 0.1680 38 H 4.2502 3.3802 1.7952 H 1 UNL1111111111 0.1579 39 H 3.0230 -4.4209 -1.4818 H 1 UNL1111111111 0.1442 40 H 2.9357 -5.0824 0.1533 H 1 UNL1111111111 0.1378 41 H 1.8449 -3.7778 -0.3365 H 1 UNL1111111111 0.1405 42 H -2.9936 2.0007 -0.9682 H 1 UNL1111111111 0.3305 43 H -2.3945 -1.7133 1.0084 H 1 UNL1111111111 0.2071 44 H -5.4433 1.6850 -1.0583 H 1 UNL1111111111 0.1438 45 H -7.7561 0.3344 -0.6990 H 1 UNL1111111111 0.1564 46 H -7.1122 -1.9839 0.5161 H 1 UNL1111111111 0.1614 47 H 1.5523 -1.8096 1.4631 H 1 UNL1111111111 0.1621 48 H 0.0735 -2.5465 0.7367 H 1 UNL1111111111 0.1481 49 H -0.0254 -1.7216 2.3430 H 1 UNL1111111111 0.1464 @BOND 1 1 17 1 2 1 24 1 3 2 9 ar 4 2 11 ar 5 2 32 1 6 3 15 ar 7 3 18 ar 8 3 42 1 9 4 20 1 10 4 23 2 11 5 6 1 12 5 7 1 13 5 25 1 14 5 26 1 15 6 8 1 16 6 27 1 17 6 28 1 18 7 9 ar 19 7 10 ar 20 8 12 1 21 8 29 1 22 8 30 1 23 9 14 1 24 10 11 ar 25 10 31 1 26 11 13 1 27 12 16 1 28 12 33 1 29 12 34 1 30 13 15 2 31 13 35 1 32 14 36 1 33 14 37 1 34 14 38 1 35 15 17 ar 36 16 39 1 37 16 40 1 38 16 41 1 39 17 19 ar 40 18 19 ar 41 18 20 2 42 19 43 1 43 20 21 1 44 21 22 2 45 21 44 1 46 22 23 1 47 22 45 1 48 23 46 1 49 24 47 1 50 24 48 1 51 24 49 1