@MOLECULE (9s,10s)-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6h-benzo[c]chromene-1,9,10-triol 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1683 2.1442 -0.4679 O.3 1 UNL1111111111 -0.3600 2 O 4.3449 -0.7435 -1.4127 O.3 1 UNL1111111111 -0.5716 3 O 2.5158 -1.9462 1.3497 O.3 1 UNL1111111111 -0.5600 4 O 0.2716 -2.5944 0.0429 O.3 1 UNL1111111111 -0.5037 5 C 4.1668 -1.0569 -0.0408 C.3 1 UNL1111111111 0.3100 6 C 2.3149 1.1190 0.1684 C.2 1 UNL1111111111 -0.0903 7 C 2.6447 -1.3487 0.0661 C.3 1 UNL1111111111 0.1301 8 C 1.7863 -0.1096 0.0187 C.2 1 UNL1111111111 -0.0139 9 C 4.5337 0.1468 0.8334 C.3 1 UNL1111111111 -0.3309 10 C 3.7774 1.3812 0.3370 C.3 1 UNL1111111111 -0.2479 11 C 1.4464 2.3455 0.1747 C.3 1 UNL1111111111 0.3102 12 C 0.3577 -0.2524 -0.2119 C.ar 1 UNL1111111111 -0.2691 13 C 4.9964 -2.2919 0.3032 C.3 1 UNL1111111111 -0.5021 14 C -0.3790 0.9188 -0.4783 C.ar 1 UNL1111111111 0.3426 15 C 1.1230 2.7589 1.6144 C.3 1 UNL1111111111 -0.4917 16 C 2.0111 3.5017 -0.6558 C.3 1 UNL1111111111 -0.4753 17 C -0.3848 -1.4412 -0.2545 C.ar 1 UNL1111111111 0.3631 18 C -1.7396 0.9125 -0.8199 C.ar 1 UNL1111111111 -0.3568 19 C -2.4159 -0.2998 -0.8679 C.ar 1 UNL1111111111 0.1662 20 C -1.7423 -1.4890 -0.5729 C.ar 1 UNL1111111111 -0.4121 21 C -3.8746 -0.3324 -1.2063 C.3 1 UNL1111111111 -0.2996 22 C -4.6989 -0.2069 0.0854 C.3 1 UNL1111111111 -0.2575 23 C -6.1993 -0.2419 -0.2240 C.3 1 UNL1111111111 -0.2743 24 C -7.0206 -0.1141 1.0659 C.3 1 UNL1111111111 -0.2514 25 C -8.5188 -0.1494 0.7641 C.3 1 UNL1111111111 -0.4410 26 H 2.3482 -2.0810 -0.7218 H 1 UNL1111111111 0.1525 27 H 5.6202 0.3284 0.8328 H 1 UNL1111111111 0.1351 28 H 4.2524 -0.0796 1.8835 H 1 UNL1111111111 0.1694 29 H 4.1932 1.6957 -0.6484 H 1 UNL1111111111 0.1594 30 H 3.9523 2.2265 1.0321 H 1 UNL1111111111 0.1389 31 H 4.7398 -2.6651 1.3058 H 1 UNL1111111111 0.1773 32 H 4.7919 -3.1059 -0.4033 H 1 UNL1111111111 0.1606 33 H 6.0692 -2.0877 0.2822 H 1 UNL1111111111 0.1398 34 H 0.3995 3.5821 1.6344 H 1 UNL1111111111 0.1604 35 H 0.6817 1.9211 2.1707 H 1 UNL1111111111 0.1654 36 H 2.0202 3.0775 2.1529 H 1 UNL1111111111 0.1550 37 H 1.2464 4.2747 -0.8138 H 1 UNL1111111111 0.1640 38 H 2.8670 3.9730 -0.1660 H 1 UNL1111111111 0.1532 39 H 2.3253 3.1544 -1.6488 H 1 UNL1111111111 0.1654 40 H 5.2819 -0.5688 -1.6095 H 1 UNL1111111111 0.3141 41 H 1.5964 -2.2679 1.4519 H 1 UNL1111111111 0.3317 42 H -2.2399 1.8521 -1.0325 H 1 UNL1111111111 0.1799 43 H -2.2718 -2.4331 -0.5917 H 1 UNL1111111111 0.1655 44 H -4.1372 0.4872 -1.9055 H 1 UNL1111111111 0.1544 45 H -4.1385 -1.2676 -1.7385 H 1 UNL1111111111 0.1504 46 H -4.4371 0.7337 0.6076 H 1 UNL1111111111 0.1456 47 H -4.4321 -1.0231 0.7834 H 1 UNL1111111111 0.1415 48 H -0.3082 -3.3903 -0.0363 H 1 UNL1111111111 0.3399 49 H -6.4641 0.5745 -0.9217 H 1 UNL1111111111 0.1375 50 H -6.4601 -1.1818 -0.7449 H 1 UNL1111111111 0.1354 51 H -6.7626 0.8271 1.5875 H 1 UNL1111111111 0.1354 52 H -6.7570 -0.9298 1.7654 H 1 UNL1111111111 0.1341 53 H -8.8080 -1.0876 0.2779 H 1 UNL1111111111 0.1419 54 H -9.1110 -0.0585 1.6815 H 1 UNL1111111111 0.1409 55 H -8.8135 0.6707 0.0999 H 1 UNL1111111111 0.1425 @BOND 1 1 11 1 2 1 14 1 3 2 5 1 4 2 40 1 5 3 7 1 6 3 41 1 7 4 17 1 8 4 48 1 9 5 7 1 10 5 9 1 11 5 13 1 12 6 8 2 13 6 10 1 14 6 11 1 15 7 8 1 16 7 26 1 17 8 12 1 18 9 10 1 19 9 27 1 20 9 28 1 21 10 29 1 22 10 30 1 23 11 15 1 24 11 16 1 25 12 14 ar 26 12 17 ar 27 13 31 1 28 13 32 1 29 13 33 1 30 14 18 ar 31 15 34 1 32 15 35 1 33 15 36 1 34 16 37 1 35 16 38 1 36 16 39 1 37 17 20 ar 38 18 19 ar 39 18 42 1 40 19 20 ar 41 19 21 1 42 20 43 1 43 21 22 1 44 21 44 1 45 21 45 1 46 22 23 1 47 22 46 1 48 22 47 1 49 23 24 1 50 23 49 1 51 23 50 1 52 24 25 1 53 24 51 1 54 24 52 1 55 25 53 1 56 25 54 1 57 25 55 1