@MOLECULE (3alpha,5beta,7alpha,8alpha,10alpha,13alpha,15r)-3,15-dibromo-7-hydroxypimar-9(11)-en-16-yl hydrogen sulfate 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 BR -6.4246 -0.1070 -1.0797 Br 1 UNL1111111111 -0.1758 2 BR 3.7541 1.9527 -1.0586 Br 1 UNL1111111111 -0.1567 3 S 4.7378 -2.3677 -0.7411 S.O2 1 UNL1111111111 2.5527 4 O 0.0309 -1.5901 3.2513 O.3 1 UNL1111111111 -0.5746 5 O 3.5748 -1.2140 -0.5172 O.3 1 UNL1111111111 -0.7373 6 O 5.6871 -1.5144 -1.7720 O.3 1 UNL1111111111 -0.8108 7 O 5.4465 -2.5446 0.4888 O.2 1 UNL1111111111 -0.8680 8 O 4.1318 -3.4395 -1.4659 O.2 1 UNL1111111111 -0.8531 9 C -1.7076 0.3222 -0.0634 C.3 1 UNL1111111111 0.0687 10 C -2.6656 -0.1999 1.0469 C.3 1 UNL1111111111 -0.1323 11 C -4.0595 -0.7098 0.5553 C.3 1 UNL1111111111 0.0835 12 C 0.2315 0.0109 1.5705 C.3 1 UNL1111111111 -0.1518 13 C -0.4898 0.9284 0.6221 C.2 1 UNL1111111111 -0.0523 14 C -1.9498 -1.2460 1.9115 C.3 1 UNL1111111111 -0.3492 15 C -2.4589 1.3884 -0.8924 C.3 1 UNL1111111111 -0.2886 16 C -0.7446 -0.5959 2.5968 C.3 1 UNL1111111111 0.1561 17 C -4.6714 0.4182 -0.3026 C.3 1 UNL1111111111 -0.0705 18 C 1.3713 0.7044 2.3319 C.3 1 UNL1111111111 -0.2969 19 C -3.7806 0.8568 -1.4527 C.3 1 UNL1111111111 -0.2927 20 C 2.2000 1.6265 1.4072 C.3 1 UNL1111111111 0.0659 21 C -1.1714 -0.7601 -1.0146 C.3 1 UNL1111111111 -0.4580 22 C -0.0209 2.1504 0.3406 C.2 1 UNL1111111111 -0.1941 23 C 1.2230 2.7265 0.9346 C.3 1 UNL1111111111 -0.2986 24 C -3.9791 -2.0378 -0.1998 C.3 1 UNL1111111111 -0.4589 25 C -4.9528 -0.9100 1.7985 C.3 1 UNL1111111111 -0.4742 26 C 2.7337 0.8210 0.2103 C.3 1 UNL1111111111 -0.1115 27 C 3.3347 2.2553 2.2223 C.3 1 UNL1111111111 -0.4732 28 C 3.6240 -0.3529 0.6100 C.3 1 UNL1111111111 0.0396 29 H -2.8796 0.6888 1.7010 H 1 UNL1111111111 0.1407 30 H 0.6689 -0.8400 0.9776 H 1 UNL1111111111 0.1736 31 H -1.6147 -2.1072 1.3011 H 1 UNL1111111111 0.1644 32 H -2.6337 -1.6675 2.6703 H 1 UNL1111111111 0.1462 33 H -2.6558 2.2807 -0.2664 H 1 UNL1111111111 0.1430 34 H -1.8190 1.7309 -1.7294 H 1 UNL1111111111 0.1505 35 H -1.0569 0.1501 3.3593 H 1 UNL1111111111 0.1187 36 H -4.9306 1.2840 0.3447 H 1 UNL1111111111 0.1522 37 H 2.0038 -0.0556 2.8273 H 1 UNL1111111111 0.1583 38 H 0.9572 1.3120 3.1614 H 1 UNL1111111111 0.1501 39 H -3.5937 0.0258 -2.1618 H 1 UNL1111111111 0.1588 40 H -4.2684 1.6496 -2.0566 H 1 UNL1111111111 0.1525 41 H -1.9460 -1.1286 -1.6950 H 1 UNL1111111111 0.1549 42 H -0.7757 -1.6276 -0.4752 H 1 UNL1111111111 0.1531 43 H -0.3562 -0.3660 -1.6343 H 1 UNL1111111111 0.1502 44 H -0.5148 2.8238 -0.3573 H 1 UNL1111111111 0.1530 45 H 0.9492 3.3721 1.7979 H 1 UNL1111111111 0.1591 46 H 1.7135 3.4148 0.2188 H 1 UNL1111111111 0.1573 47 H -3.3128 -2.7500 0.2983 H 1 UNL1111111111 0.1501 48 H -4.9595 -2.5260 -0.2703 H 1 UNL1111111111 0.1570 49 H -3.6141 -1.9113 -1.2249 H 1 UNL1111111111 0.1527 50 H -5.9732 -1.2037 1.5261 H 1 UNL1111111111 0.1605 51 H -5.0265 -0.0006 2.4025 H 1 UNL1111111111 0.1452 52 H -4.5703 -1.7092 2.4426 H 1 UNL1111111111 0.1498 53 H 1.8827 0.4532 -0.4150 H 1 UNL1111111111 0.1880 54 H 4.0743 1.5115 2.5380 H 1 UNL1111111111 0.1522 55 H 2.9540 2.7361 3.1315 H 1 UNL1111111111 0.1523 56 H 3.8687 3.0294 1.6586 H 1 UNL1111111111 0.1599 57 H -0.5178 -2.1227 3.8542 H 1 UNL1111111111 0.3168 58 H 4.6644 -0.0607 0.8498 H 1 UNL1111111111 0.1482 59 H 3.1987 -0.9199 1.4671 H 1 UNL1111111111 0.1500 60 H 5.2474 -1.0812 -2.5201 H 1 UNL1111111111 0.3933 @BOND 1 1 17 1 2 2 26 1 3 3 5 1 4 3 6 1 5 3 7 2 6 3 8 2 7 4 16 1 8 4 57 1 9 5 28 1 10 6 60 1 11 9 10 1 12 9 13 1 13 9 15 1 14 9 21 1 15 10 11 1 16 10 14 1 17 10 29 1 18 11 17 1 19 11 24 1 20 11 25 1 21 12 13 1 22 12 16 1 23 12 18 1 24 12 30 1 25 13 22 2 26 14 16 1 27 14 31 1 28 14 32 1 29 15 19 1 30 15 33 1 31 15 34 1 32 16 35 1 33 17 19 1 34 17 36 1 35 18 20 1 36 18 37 1 37 18 38 1 38 19 39 1 39 19 40 1 40 20 23 1 41 20 26 1 42 20 27 1 43 21 41 1 44 21 42 1 45 21 43 1 46 22 23 1 47 22 44 1 48 23 45 1 49 23 46 1 50 24 47 1 51 24 48 1 52 24 49 1 53 25 50 1 54 25 51 1 55 25 52 1 56 26 28 1 57 26 53 1 58 27 54 1 59 27 55 1 60 27 56 1 61 28 58 1 62 28 59 1