@MOLECULE 10,14,17-trimethoxy-BLAHe-12,19-dione 40 43 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.2133 2.5889 -0.2254 O.3 1 UNL1111111 0.0470 2 O 3.0149 3.0853 0.1066 O.3 1 UNL1111111 -0.0042 3 O -0.3771 -3.7492 -0.3146 O.2 1 UNL1111111 -0.1728 4 O -3.9317 1.4465 0.7849 O.2 1 UNL1111111 -0.0091 5 O -4.6691 -1.1457 -0.3115 O.2 1 UNL1111111 -0.3357 6 N 2.2329 -3.1560 0.0113 N.4 1 UNL1111111 -0.4792 7 C 1.6495 -0.8179 0.0578 C.3 1 UNL1111111 -0.3637 8 C 0.6261 0.2132 0.0546 C.3 1 UNL1111111 0.2184 9 C -0.7128 -0.1440 0.1367 C.3 1 UNL1111111 -0.2854 10 C 1.3030 -2.1503 -0.0201 C.3 1 UNL1111111 0.3868 11 C 3.0497 -0.4649 0.1671 C.3 1 UNL1111111 0.5802 12 C -1.1397 -1.5092 -0.0494 C.2 1 UNL1111111 0.2765 13 C 1.1030 1.5570 -0.0414 C.3 1 UNL1111111 -0.2792 14 C -0.1325 -2.5764 -0.1482 C.2 1 UNL1111111 -0.0139 15 C 3.4363 0.8452 0.2181 C.3 1 UNL1111111 -0.7249 16 C 2.4447 1.8658 0.0927 C.3 1 UNL1111111 0.2614 17 C -1.7538 0.8057 0.4306 C.2 1 UNL1111111 -0.1538 18 C 3.9918 -1.5532 0.2187 C.3 1 UNL1111111 -0.5878 19 C -2.4439 -1.8613 -0.1519 C.2 1 UNL1111111 -0.4370 20 C 3.5788 -2.8483 0.1401 C.3 1 UNL1111111 0.0845 21 C -3.0690 0.4799 0.3568 C.2 1 UNL1111111 -0.1550 22 C -3.5183 -0.8552 -0.0580 C.2 1 UNL1111111 0.4137 23 C -0.2642 2.6538 -1.5725 C.3 1 UNL1111111 -0.6761 24 C 2.1753 4.2345 0.1781 C.3 1 UNL1111111 -0.7714 25 C -5.2380 1.4221 0.2194 C.3 1 UNL1111111 -0.8014 26 H 4.4743 1.1441 0.3305 H 1 UNL1111111 0.3055 27 H 1.9197 -4.1229 -0.0644 H 1 UNL1111111 0.4345 28 H -1.4671 1.8081 0.7664 H 1 UNL1111111 0.2247 29 H 5.0487 -1.3088 0.3203 H 1 UNL1111111 0.2788 30 H -2.7659 -2.8929 -0.3086 H 1 UNL1111111 0.2375 31 H 4.2647 -3.7002 0.1725 H 1 UNL1111111 0.2251 32 H -0.7963 1.7344 -1.8422 H 1 UNL1111111 0.2262 33 H 0.5593 2.8402 -2.2652 H 1 UNL1111111 0.2033 34 H -0.9585 3.5007 -1.5395 H 1 UNL1111111 0.2313 35 H 1.4386 4.1423 0.9848 H 1 UNL1111111 0.2849 36 H 1.6833 4.4048 -0.7842 H 1 UNL1111111 0.2381 37 H 2.8990 5.0297 0.3977 H 1 UNL1111111 0.2750 38 H -5.8248 0.6086 0.6627 H 1 UNL1111111 0.2950 39 H -5.2077 1.3213 -0.8685 H 1 UNL1111111 0.2424 40 H -5.6367 2.3997 0.5143 H 1 UNL1111111 0.2797 @BOND 1 33 23 1 2 32 23 1 3 23 34 1 4 23 1 1 5 39 25 1 6 36 24 1 7 3 14 2 8 5 22 2 9 30 19 1 10 1 13 1 11 19 22 1 12 19 12 2 13 14 12 1 14 14 10 1 15 27 6 1 16 22 21 1 17 12 9 1 18 13 8 1 19 13 16 1 20 10 6 1 21 10 7 1 22 6 20 1 23 8 7 1 24 8 9 1 25 7 11 1 26 16 2 1 27 16 15 1 28 2 24 1 29 9 17 1 30 20 31 1 31 20 18 1 32 11 15 1 33 11 18 1 34 24 37 1 35 24 35 1 36 15 26 1 37 18 29 1 38 25 40 1 39 25 38 1 40 25 4 1 41 21 17 2 42 21 4 1 43 17 28 1