@MOLECULE bilobalide 41 44 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.4238 -1.5223 2.0933 O.3 1 UNL1111111 -0.3636 2 O 1.6709 2.3963 -0.2391 O.3 1 UNL1111111 -0.4128 3 O 0.0322 -2.7684 0.2221 O.3 1 UNL1111111 -0.4131 4 O -1.6536 0.4003 1.7367 O.3 1 UNL1111111 -0.5953 5 O 0.5890 -0.2491 -2.1593 O.3 1 UNL1111111 -0.5045 6 O 2.0076 -0.1415 2.8336 O.2 1 UNL1111111 -0.3974 7 O 0.7685 -3.1701 -1.8550 O.2 1 UNL1111111 -0.3973 8 O 3.2425 1.8376 -1.7107 O.2 1 UNL1111111 -0.4257 9 C -0.2781 -0.3828 0.0811 C.3 1 UNL1111111 -0.1048 10 C 1.0463 0.2357 0.6045 C.3 1 UNL1111111 -0.1043 11 C -1.3637 0.7014 0.3798 C.3 1 UNL1111111 0.2923 12 C 0.8216 1.7714 0.7198 C.3 1 UNL1111111 0.1423 13 C -0.6237 2.0520 0.3231 C.3 1 UNL1111111 -0.3828 14 C -0.4372 -1.6557 0.9921 C.3 1 UNL1111111 0.3157 15 C -0.2477 -0.9903 -1.3211 C.3 1 UNL1111111 0.0154 16 C -2.7094 0.7093 -0.4033 C.3 1 UNL1111111 0.0730 17 C 2.3304 0.1197 -0.2114 C.3 1 UNL1111111 -0.3739 18 C 1.2541 -0.4341 1.9565 C.2 1 UNL1111111 0.5719 19 C 0.2720 -2.4142 -1.0777 C.2 1 UNL1111111 0.5260 20 C 2.5035 1.4798 -0.8440 C.2 1 UNL1111111 0.6182 21 C -2.5249 1.1755 -1.8533 C.3 1 UNL1111111 -0.4795 22 C -3.6743 1.6954 0.2900 C.3 1 UNL1111111 -0.4675 23 C -3.3609 -0.6792 -0.3487 C.3 1 UNL1111111 -0.4637 24 H 1.1203 2.1932 1.7007 H 1 UNL1111111 0.1619 25 H -1.0906 2.8049 0.9778 H 1 UNL1111111 0.1606 26 H -0.6521 2.4876 -0.6988 H 1 UNL1111111 0.1940 27 H -1.4291 -1.9279 1.3916 H 1 UNL1111111 0.1832 28 H -1.2607 -1.0481 -1.7940 H 1 UNL1111111 0.1707 29 H 2.3288 -0.6839 -0.9727 H 1 UNL1111111 0.2052 30 H 3.2167 -0.1020 0.4277 H 1 UNL1111111 0.1981 31 H -2.1658 1.1058 2.1747 H 1 UNL1111111 0.3380 32 H -2.8355 -1.4269 -0.9480 H 1 UNL1111111 0.1404 33 H -3.4130 -1.0498 0.6844 H 1 UNL1111111 0.1627 34 H -4.3910 -0.6457 -0.7257 H 1 UNL1111111 0.1534 35 H -3.2496 2.6997 0.3801 H 1 UNL1111111 0.1465 36 H -3.9706 1.3511 1.2869 H 1 UNL1111111 0.1481 37 H -4.6011 1.7958 -0.2902 H 1 UNL1111111 0.1556 38 H -1.5590 0.8903 -2.2863 H 1 UNL1111111 0.1668 39 H -3.3102 0.7745 -2.5042 H 1 UNL1111111 0.1538 40 H -2.5789 2.2685 -1.9399 H 1 UNL1111111 0.1540 41 H 0.7604 -0.7428 -3.0010 H 1 UNL1111111 0.3387 @BOND 1 41 5 1 2 39 21 1 3 38 21 1 4 5 15 1 5 40 21 1 6 7 19 2 7 21 16 1 8 28 15 1 9 8 20 2 10 15 19 1 11 15 9 1 12 19 3 1 13 29 17 1 14 32 23 1 15 20 2 1 16 20 17 1 17 34 23 1 18 26 13 1 19 16 23 1 20 16 22 1 21 16 11 1 22 23 33 1 23 37 22 1 24 2 12 1 25 17 30 1 26 17 10 1 27 9 11 1 28 9 10 1 29 9 14 1 30 3 14 1 31 22 35 1 32 22 36 1 33 13 11 1 34 13 12 1 35 13 25 1 36 11 4 1 37 10 12 1 38 10 18 1 39 12 24 1 40 14 27 1 41 14 1 1 42 4 31 1 43 18 1 1 44 18 6 2