@MOLECULE 1-{[(1s,4as,4bs,6as,10r,10as,10bs,12as)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methyleneoctadecahydro-1-chrysenyl]methyl}guanidine 75 78 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.9437 -3.0281 -0.7779 O.3 1 UNL1111111 -0.5698 2 N 5.1044 -0.7810 0.8651 N.pl3 1 UNL1111111 -0.5565 3 N 7.3120 -1.1966 1.5248 N.pl3 1 UNL1111111 -0.6264 4 N 6.5037 -2.3265 -0.3928 N.pl3 1 UNL1111111 -0.6744 5 C -0.7984 1.1406 -0.3466 C.3 1 UNL1111111 0.0843 6 C -1.2425 -0.3285 -0.0859 C.3 1 UNL1111111 -0.1427 7 C -2.7635 -0.6242 -0.2693 C.3 1 UNL1111111 0.0164 8 C 0.6881 1.2418 0.1370 C.3 1 UNL1111111 -0.1460 9 C -3.5354 0.3550 0.6583 C.3 1 UNL1111111 -0.1459 10 C 1.6708 0.2209 -0.5149 C.3 1 UNL1111111 0.0830 11 C -1.6623 2.0513 0.5641 C.3 1 UNL1111111 -0.3040 12 C -0.3526 -1.2880 -0.8851 C.3 1 UNL1111111 -0.2793 13 C -3.1609 1.8126 0.3557 C.3 1 UNL1111111 -0.2744 14 C -5.0785 0.1520 0.6793 C.3 1 UNL1111111 0.1016 15 C 1.0870 -1.2010 -0.3701 C.3 1 UNL1111111 -0.2967 16 C -3.0115 -2.0772 0.2640 C.3 1 UNL1111111 0.1342 17 C 1.2487 2.6698 0.0158 C.3 1 UNL1111111 -0.2780 18 C 3.0078 0.3256 0.3048 C.3 1 UNL1111111 -0.1561 19 C -0.9568 1.6062 -1.7963 C.3 1 UNL1111111 -0.4588 20 C -3.2006 -0.5390 -1.7300 C.3 1 UNL1111111 -0.4521 21 C -5.4301 -1.3401 0.4693 C.3 1 UNL1111111 -0.2919 22 C -4.3377 -2.2510 1.0198 C.3 1 UNL1111111 -0.3352 23 C 1.9755 0.4944 -1.9919 C.3 1 UNL1111111 -0.4629 24 C 2.6188 2.7720 0.7020 C.3 1 UNL1111111 -0.2966 25 C 3.5486 1.7225 0.1585 C.2 1 UNL1111111 0.0759 26 C -5.8207 0.9786 -0.3834 C.3 1 UNL1111111 -0.4693 27 C -5.5997 0.5904 2.0656 C.3 1 UNL1111111 -0.4694 28 C 4.0179 -0.7738 -0.1006 C.3 1 UNL1111111 -0.0908 29 C 4.7182 2.0552 -0.3903 C.2 1 UNL1111111 -0.3915 30 C 6.2159 -1.4040 0.6424 C.cat 1 UNL1111111 0.5014 31 H -1.0354 -0.5153 1.0045 H 1 UNL1111111 0.1332 32 H 0.6667 0.9898 1.2309 H 1 UNL1111111 0.1358 33 H -3.1745 0.1357 1.6995 H 1 UNL1111111 0.1378 34 H -1.4311 3.1130 0.3598 H 1 UNL1111111 0.1369 35 H -1.4024 1.8816 1.6251 H 1 UNL1111111 0.1361 36 H -0.7170 -2.3316 -0.8006 H 1 UNL1111111 0.1583 37 H -0.3944 -1.0617 -1.9647 H 1 UNL1111111 0.1399 38 H -3.4482 2.0801 -0.6776 H 1 UNL1111111 0.1411 39 H -3.7361 2.4926 1.0123 H 1 UNL1111111 0.1318 40 H 1.1239 -1.5158 0.6901 H 1 UNL1111111 0.1396 41 H 1.7103 -1.9266 -0.9254 H 1 UNL1111111 0.1351 42 H -2.1654 -2.4140 0.9109 H 1 UNL1111111 0.1381 43 H 0.5555 3.4003 0.4703 H 1 UNL1111111 0.1337 44 H 1.3422 2.9623 -1.0464 H 1 UNL1111111 0.1430 45 H 2.7753 0.1608 1.3902 H 1 UNL1111111 0.1631 46 H -0.7489 0.8004 -2.5092 H 1 UNL1111111 0.1491 47 H -0.2816 2.4357 -2.0312 H 1 UNL1111111 0.1443 48 H -1.9715 1.9629 -2.0049 H 1 UNL1111111 0.1421 49 H -4.2127 -0.9298 -1.8794 H 1 UNL1111111 0.1367 50 H -2.5246 -1.1100 -2.3795 H 1 UNL1111111 0.1547 51 H -3.2048 0.4950 -2.0906 H 1 UNL1111111 0.1516 52 H -6.3986 -1.5699 0.9507 H 1 UNL1111111 0.1375 53 H -5.5869 -1.5491 -0.6051 H 1 UNL1111111 0.1360 54 H -4.1844 -2.0535 2.0970 H 1 UNL1111111 0.1456 55 H -4.6503 -3.3124 0.9566 H 1 UNL1111111 0.1529 56 H 2.7178 -0.2076 -2.3843 H 1 UNL1111111 0.1365 57 H 1.0843 0.3952 -2.6182 H 1 UNL1111111 0.1503 58 H 2.3764 1.5038 -2.1407 H 1 UNL1111111 0.1531 59 H 3.0327 3.7888 0.5616 H 1 UNL1111111 0.1422 60 H 2.5142 2.6431 1.7984 H 1 UNL1111111 0.1485 61 H -5.3061 1.6194 2.2956 H 1 UNL1111111 0.1437 62 H -5.2099 -0.0513 2.8619 H 1 UNL1111111 0.1430 63 H -6.6922 0.5450 2.1115 H 1 UNL1111111 0.1429 64 H -5.7811 2.0503 -0.1628 H 1 UNL1111111 0.1457 65 H -6.8796 0.7003 -0.4282 H 1 UNL1111111 0.1427 66 H -5.3975 0.8333 -1.3818 H 1 UNL1111111 0.1480 67 H 3.5145 -1.7693 -0.0953 H 1 UNL1111111 0.1390 68 H 4.3718 -0.5915 -1.1387 H 1 UNL1111111 0.1223 69 H -3.7005 -2.9454 -1.3879 H 1 UNL1111111 0.3153 70 H 5.4316 1.3476 -0.7733 H 1 UNL1111111 0.1470 71 H 5.0675 3.0697 -0.4755 H 1 UNL1111111 0.1426 72 H 7.4742 -2.4918 -0.6015 H 1 UNL1111111 0.2911 73 H 5.9372 -2.2617 -1.2190 H 1 UNL1111111 0.2882 74 H 7.7252 -2.0375 1.8948 H 1 UNL1111111 0.2791 75 H 7.1145 -0.5270 2.2599 H 1 UNL1111111 0.2967 @BOND 1 57 23 1 2 46 19 1 3 56 23 1 4 50 20 1 5 58 23 1 6 51 20 1 7 47 19 1 8 48 19 1 9 23 10 1 10 37 12 1 11 49 20 1 12 19 5 1 13 20 7 1 14 69 1 1 15 66 26 1 16 73 4 1 17 68 28 1 18 44 17 1 19 41 15 1 20 12 36 1 21 12 15 1 22 12 6 1 23 1 16 1 24 70 29 1 25 38 13 1 26 53 21 1 27 72 4 1 28 10 15 1 29 10 8 1 30 10 18 1 31 71 29 1 32 65 26 1 33 4 30 1 34 29 25 2 35 26 64 1 36 26 14 1 37 15 40 1 38 5 6 1 39 5 8 1 40 5 11 1 41 7 6 1 42 7 16 1 43 7 9 1 44 28 67 1 45 28 18 1 46 28 2 1 47 6 31 1 48 17 8 1 49 17 43 1 50 17 24 1 51 8 32 1 52 25 18 1 53 25 24 1 54 16 42 1 55 16 22 1 56 18 45 1 57 13 11 1 58 13 9 1 59 13 39 1 60 34 11 1 61 21 14 1 62 21 52 1 63 21 22 1 64 59 24 1 65 11 35 1 66 30 2 2 67 30 3 1 68 9 14 1 69 9 33 1 70 14 27 1 71 24 60 1 72 55 22 1 73 22 54 1 74 3 74 1 75 3 75 1 76 27 63 1 77 27 61 1 78 27 62 1