@MOLECULE wortmannin 55 59 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3469 2.1994 0.2038 O.3 1 UNL11111111 -0.4594 2 O 3.3359 0.5199 -0.8548 O.3 1 UNL11111111 -0.4055 3 O 1.7554 -3.5289 0.5009 O.2 1 UNL11111111 -0.0802 4 O -5.5047 0.8657 0.1203 O.2 1 UNL11111111 -0.4410 5 O -1.2137 -3.4183 0.7781 O.2 1 UNL11111111 -0.3968 6 O 2.7552 2.1819 1.4089 O.3 1 UNL11111111 -0.3806 7 O 5.0628 -0.8340 -0.8964 O.2 1 UNL11111111 -0.4220 8 O -0.6816 3.8224 -1.3105 O.2 1 UNL11111111 -0.5052 9 C -3.2471 0.0788 -0.3089 C.3 1 UNL11111111 -0.0326 10 C -2.4990 -0.8637 0.6773 C.3 1 UNL11111111 -0.1207 11 C -0.4292 -0.0672 -0.3511 C.2 1 UNL11111111 -0.0062 12 C -2.5621 1.4317 -0.2424 C.3 1 UNL11111111 -0.3257 13 C 0.9892 -0.1928 -0.8678 C.3 1 UNL11111111 -0.0072 14 C -1.1110 -1.1028 0.1908 C.2 1 UNL11111111 -0.1334 15 C -1.0750 1.2806 -0.6163 C.3 1 UNL11111111 0.1313 16 C -3.4902 -2.0214 0.8972 C.3 1 UNL11111111 -0.2530 17 C -4.6757 0.0089 0.2295 C.2 1 UNL11111111 0.4629 18 C -4.8675 -1.3259 0.9220 C.3 1 UNL11111111 -0.3911 19 C -3.3101 -0.4430 -1.7468 C.3 1 UNL11111111 -0.4474 20 C 1.5506 -1.4755 -0.4070 C.ar 1 UNL11111111 -0.0215 21 C 2.0358 0.8524 -0.3707 C.3 1 UNL11111111 0.1244 22 C -0.5605 -2.4780 0.4048 C.2 1 UNL11111111 0.4685 23 C 0.8697 -2.5284 0.1324 C.ar 1 UNL11111111 -0.0943 24 C 0.9585 -0.1688 -2.4061 C.3 1 UNL11111111 -0.4358 25 C 2.9459 -1.7794 -0.3153 C.ar 1 UNL11111111 -0.2928 26 C 2.0744 0.9602 1.1603 C.3 1 UNL11111111 -0.1001 27 C 3.8848 -0.7307 -0.6861 C.2 1 UNL11111111 0.6208 28 C 3.0142 -3.0444 0.2190 C.ar 1 UNL11111111 0.0955 29 C -0.2543 3.4897 -0.2368 C.2 1 UNL11111111 0.6390 30 C 0.4297 4.3169 0.7872 C.3 1 UNL11111111 -0.5238 31 C 3.4324 2.2022 2.6503 C.3 1 UNL11111111 -0.1950 32 H -2.3967 -0.3330 1.6687 H 1 UNL11111111 0.1615 33 H -2.6553 1.8725 0.7709 H 1 UNL11111111 0.1654 34 H -3.0516 2.1658 -0.9146 H 1 UNL11111111 0.1741 35 H -0.9314 1.5516 -1.6956 H 1 UNL11111111 0.1632 36 H -3.2825 -2.5724 1.8287 H 1 UNL11111111 0.1578 37 H -3.4282 -2.7712 0.0898 H 1 UNL11111111 0.1598 38 H -5.2330 -1.1741 1.9535 H 1 UNL11111111 0.1715 39 H -5.6469 -1.9232 0.4191 H 1 UNL11111111 0.1727 40 H -3.7827 -1.4312 -1.8051 H 1 UNL11111111 0.1556 41 H -3.8884 0.2387 -2.3850 H 1 UNL11111111 0.1598 42 H -2.3127 -0.5422 -2.1895 H 1 UNL11111111 0.1555 43 H 1.8951 1.8519 -0.8469 H 1 UNL11111111 0.1774 44 H 0.2780 -0.9286 -2.8081 H 1 UNL11111111 0.1587 45 H 0.6477 0.8089 -2.7949 H 1 UNL11111111 0.1632 46 H 1.9579 -0.3682 -2.8227 H 1 UNL11111111 0.1752 47 H 2.5961 0.1033 1.6169 H 1 UNL11111111 0.1331 48 H 1.0592 1.0459 1.5945 H 1 UNL11111111 0.1516 49 H 3.8032 -3.7255 0.4659 H 1 UNL11111111 0.1919 50 H 1.3803 3.8533 1.1200 H 1 UNL11111111 0.2138 51 H -0.1895 4.4383 1.6889 H 1 UNL11111111 0.1855 52 H 0.6650 5.3187 0.3951 H 1 UNL11111111 0.1871 53 H 2.7367 2.0648 3.4826 H 1 UNL11111111 0.1193 54 H 3.8695 3.2091 2.6734 H 1 UNL11111111 0.1466 55 H 4.2282 1.4500 2.6730 H 1 UNL11111111 0.1290 @BOND 1 46 24 1 2 44 24 1 3 45 24 1 4 24 13 1 5 41 19 1 6 42 19 1 7 40 19 1 8 19 9 1 9 35 15 1 10 8 29 2 11 34 12 1 12 7 27 2 13 13 20 1 14 13 21 1 15 13 11 1 16 2 27 1 17 2 21 1 18 43 21 1 19 27 25 1 20 15 11 1 21 15 12 1 22 15 1 1 23 20 25 ar 24 20 23 ar 25 21 26 1 26 11 14 2 27 25 28 ar 28 9 12 1 29 9 17 1 30 9 10 1 31 12 33 1 32 29 1 1 33 29 30 1 34 37 16 1 35 4 17 2 36 23 22 1 37 23 3 ar 38 14 22 1 39 14 10 1 40 28 49 1 41 28 3 ar 42 17 18 1 43 52 30 1 44 22 5 2 45 39 18 1 46 10 16 1 47 10 32 1 48 30 50 1 49 30 51 1 50 16 18 1 51 16 36 1 52 18 38 1 53 26 6 1 54 26 48 1 55 26 47 1 56 6 31 1 57 31 55 1 58 31 54 1 59 31 53 1