@MOLECULE (6as,6bs,8s,12bs)-3,9,12b-trihydroxy-8-methoxy-6,6a,6b,7,8,12b-hexahydrobenzo[j]fluoranthen-4(5h)-one 46 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7173 -0.2119 1.8611 O.3 1 UNL1111111111 -0.5540 2 O 3.1204 -1.3135 1.3498 O.3 1 UNL1111111111 -0.4133 3 O -5.2320 -0.7623 -0.7519 O.2 1 UNL1111111111 -0.5309 4 O -4.9297 1.6732 0.3298 O.3 1 UNL1111111111 -0.4709 5 O 4.8795 -0.0460 -1.2794 O.3 1 UNL1111111111 -0.4800 6 C 0.2851 -1.0455 -0.4405 C.3 1 UNL1111111111 -0.1726 7 C -1.1681 -1.5018 -0.1845 C.3 1 UNL1111111111 -0.1381 8 C 0.4610 0.1956 0.5443 C.3 1 UNL1111111111 0.3010 9 C -1.8274 -0.1964 0.1656 C.ar 1 UNL1111111111 0.1436 10 C 1.4020 -2.0438 -0.2011 C.3 1 UNL1111111111 -0.3332 11 C -0.9258 0.7786 0.5975 C.ar 1 UNL1111111111 -0.1749 12 C -1.9059 -2.1302 -1.3681 C.3 1 UNL1111111111 -0.2598 13 C 1.6393 0.9461 -0.0177 C.ar 1 UNL1111111111 0.0144 14 C 2.7678 -1.3260 -0.0404 C.3 1 UNL1111111111 0.1307 15 C 2.7417 0.1467 -0.3540 C.ar 1 UNL1111111111 -0.1586 16 C -3.1838 0.0575 0.0142 C.ar 1 UNL1111111111 -0.3798 17 C -3.4043 -2.2495 -1.0493 C.3 1 UNL1111111111 -0.3718 18 C -1.3992 2.0105 1.0390 C.ar 1 UNL1111111111 0.0089 19 C -4.0375 -0.9515 -0.6023 C.2 1 UNL1111111111 0.5323 20 C 1.6535 2.3152 -0.2564 C.ar 1 UNL1111111111 -0.2175 21 C -3.6394 1.3262 0.4255 C.ar 1 UNL1111111111 0.3969 22 C 3.8491 0.7708 -0.9362 C.ar 1 UNL1111111111 0.2980 23 C -2.7600 2.2892 0.9521 C.ar 1 UNL1111111111 -0.3153 24 C 2.7795 2.9123 -0.8254 C.ar 1 UNL1111111111 -0.0552 25 C 3.8870 2.1475 -1.1759 C.ar 1 UNL1111111111 -0.3129 26 C 3.6772 -2.5200 1.8300 C.3 1 UNL1111111111 -0.1927 27 H 0.3554 -0.6627 -1.4872 H 1 UNL1111111111 0.1538 28 H -1.2004 -2.1881 0.6972 H 1 UNL1111111111 0.1709 29 H 1.4533 -2.7710 -1.0311 H 1 UNL1111111111 0.1466 30 H 1.1943 -2.6393 0.7118 H 1 UNL1111111111 0.1660 31 H -1.4856 -3.1248 -1.6040 H 1 UNL1111111111 0.1449 32 H -1.7623 -1.5176 -2.2803 H 1 UNL1111111111 0.1509 33 H 3.5586 -1.8543 -0.6185 H 1 UNL1111111111 0.1433 34 H -3.5693 -3.0041 -0.2495 H 1 UNL1111111111 0.1756 35 H -3.9535 -2.6410 -1.9315 H 1 UNL1111111111 0.1755 36 H -0.7123 2.7481 1.4576 H 1 UNL1111111111 0.1600 37 H 1.6104 -0.6273 1.9372 H 1 UNL1111111111 0.3489 38 H 0.7886 2.9249 -0.0047 H 1 UNL1111111111 0.1676 39 H -3.1617 3.2432 1.2835 H 1 UNL1111111111 0.1808 40 H 2.7889 3.9884 -1.0007 H 1 UNL1111111111 0.1514 41 H 4.7605 2.6086 -1.6229 H 1 UNL1111111111 0.1610 42 H 3.8534 -2.3026 2.8924 H 1 UNL1111111111 0.1499 43 H 4.6261 -2.7294 1.3248 H 1 UNL1111111111 0.1284 44 H 2.9822 -3.3572 1.7211 H 1 UNL1111111111 0.1207 45 H -5.4758 0.9172 -0.0740 H 1 UNL1111111111 0.3781 46 H 5.6515 0.4551 -1.6366 H 1 UNL1111111111 0.3316 @BOND 1 1 8 1 2 1 37 1 3 2 14 1 4 2 26 1 5 3 19 2 6 4 21 1 7 4 45 1 8 5 22 1 9 5 46 1 10 6 7 1 11 6 8 1 12 6 10 1 13 6 27 1 14 7 9 1 15 7 12 1 16 7 28 1 17 8 11 1 18 8 13 1 19 9 11 ar 20 9 16 ar 21 10 14 1 22 10 29 1 23 10 30 1 24 11 18 ar 25 12 17 1 26 12 31 1 27 12 32 1 28 13 15 ar 29 13 20 ar 30 14 15 1 31 14 33 1 32 15 22 ar 33 16 19 1 34 16 21 ar 35 17 19 1 36 17 34 1 37 17 35 1 38 18 23 ar 39 18 36 1 40 20 24 ar 41 20 38 1 42 21 23 ar 43 22 25 ar 44 23 39 1 45 24 25 ar 46 24 40 1 47 25 41 1 48 26 42 1 49 26 43 1 50 26 44 1