@MOLECULE 2,5-dihydroxy-3,6-bis[5-(3-methyl-2-buten-1-yl)-1h-indol-3-yl]-1,4-benzoquinone 68 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0646 -0.4340 -1.9221 O.2 1 UNL11 -0.4058 2 O -0.0476 4.0328 0.9965 O.2 1 UNL11 -0.4262 3 O 1.3064 0.8507 -2.1115 O.2 1 UNL11 -0.3365 4 O -2.4776 3.7534 -0.1930 O.2 1 UNL11 -0.4309 5 N -5.5756 0.8011 -1.1077 N.ar 1 UNL11 -0.3766 6 N 3.9125 2.9772 1.4467 N.ar 1 UNL11 -0.3801 7 C -3.3263 1.0598 -0.8995 C.ar 1 UNL11 -0.1290 8 C 2.0508 2.2436 0.3578 C.ar 1 UNL11 -0.1040 9 C -3.6986 -0.1747 -0.2541 C.ar 1 UNL11 -0.0763 10 C 2.9359 1.1177 0.5392 C.ar 1 UNL11 -0.0346 11 C -1.9759 1.5484 -0.9414 C.2 1 UNL11 -0.2758 12 C 0.7487 2.2123 -0.2375 C.2 1 UNL11 -0.1698 13 C -5.1112 -0.3120 -0.3989 C.ar 1 UNL11 0.0796 14 C 4.0926 1.6076 1.2223 C.ar 1 UNL11 0.0770 15 C -4.4914 1.6335 -1.3885 C.ar 1 UNL11 0.0202 16 C 2.6768 3.3504 0.9262 C.ar 1 UNL11 0.0113 17 C -2.9748 -1.1329 0.4560 C.ar 1 UNL11 -0.1603 18 C 2.8675 -0.2372 0.2102 C.ar 1 UNL11 -0.1416 19 C -0.9505 0.7841 -1.3902 C.2 1 UNL11 0.2227 20 C -0.2682 3.0300 0.1252 C.2 1 UNL11 0.1510 21 C 0.4920 1.2353 -1.3189 C.2 1 UNL11 0.4388 22 C -1.6840 2.8582 -0.3593 C.2 1 UNL11 0.4490 23 C -3.6494 -2.2116 1.0009 C.ar 1 UNL11 -0.0043 24 C 3.9308 -1.0642 0.5358 C.ar 1 UNL11 -0.0067 25 C -5.7923 -1.4139 0.1344 C.ar 1 UNL11 -0.1940 26 C 5.1627 0.7726 1.5622 C.ar 1 UNL11 -0.2013 27 C -5.0470 -2.3504 0.8271 C.ar 1 UNL11 -0.1479 28 C 5.0659 -0.5611 1.2091 C.ar 1 UNL11 -0.1456 29 C -2.8908 -3.2470 1.7833 C.3 1 UNL11 -0.2745 30 C 3.8894 -2.5110 0.1310 C.3 1 UNL11 -0.2700 31 C -1.8675 -2.5970 2.6627 C.2 1 UNL11 -0.2351 32 C 4.2812 -2.6154 -1.3104 C.2 1 UNL11 -0.2343 33 C -0.5785 -2.4155 2.3459 C.2 1 UNL11 0.0681 34 C 3.4319 -2.6723 -2.3448 C.2 1 UNL11 0.0702 35 C 0.3501 -1.6923 3.2675 C.3 1 UNL11 -0.4598 36 C 0.0535 -2.8788 1.0753 C.3 1 UNL11 -0.4611 37 C 3.9428 -2.7308 -3.7504 C.3 1 UNL11 -0.4611 38 C 1.9452 -2.6544 -2.2330 C.3 1 UNL11 -0.4624 39 H -4.6195 2.5699 -1.9036 H 1 UNL11 0.1768 40 H 2.3238 4.3653 0.9907 H 1 UNL11 0.1754 41 H -1.9005 -1.0061 0.6000 H 1 UNL11 0.1795 42 H 2.0022 -0.6311 -0.3183 H 1 UNL11 0.1649 43 H -6.5255 0.9852 -1.3304 H 1 UNL11 0.3148 44 H 4.5604 3.5747 1.9013 H 1 UNL11 0.3114 45 H -6.8649 -1.5206 0.0144 H 1 UNL11 0.1575 46 H 6.0335 1.1602 2.0779 H 1 UNL11 0.1533 47 H -5.5455 -3.2165 1.2615 H 1 UNL11 0.1550 48 H 5.8819 -1.2418 1.4453 H 1 UNL11 0.1518 49 H -3.5798 -3.8599 2.4032 H 1 UNL11 0.1496 50 H -2.4245 -3.9718 1.0804 H 1 UNL11 0.1561 51 H 4.5724 -3.1224 0.7571 H 1 UNL11 0.1458 52 H 2.8819 -2.9400 0.3137 H 1 UNL11 0.1487 53 H -2.2698 -2.2318 3.6060 H 1 UNL11 0.1491 54 H 5.3574 -2.6073 -1.4720 H 1 UNL11 0.1463 55 H -2.0233 -0.7393 -1.9583 H 1 UNL11 0.3496 56 H -0.8902 4.5562 1.1491 H 1 UNL11 0.3473 57 H -0.0481 -1.5919 4.2844 H 1 UNL11 0.1486 58 H 1.3230 -2.1954 3.3485 H 1 UNL11 0.1550 59 H 0.5464 -0.6727 2.8964 H 1 UNL11 0.1683 60 H 0.7874 -2.1461 0.7038 H 1 UNL11 0.1628 61 H 0.5856 -3.8281 1.2311 H 1 UNL11 0.1539 62 H -0.6728 -3.0417 0.2683 H 1 UNL11 0.1548 63 H 3.5388 -1.8979 -4.3456 H 1 UNL11 0.1612 64 H 3.6430 -3.6648 -4.2445 H 1 UNL11 0.1507 65 H 5.0366 -2.6665 -3.8103 H 1 UNL11 0.1500 66 H 1.5833 -3.0316 -1.2690 H 1 UNL11 0.1487 67 H 1.4634 -3.2546 -3.0152 H 1 UNL11 0.1485 68 H 1.5652 -1.6216 -2.3481 H 1 UNL11 0.1824 @BOND 1 1 19 1 2 1 55 1 3 2 20 1 4 2 56 1 5 3 21 2 6 4 22 2 7 5 13 ar 8 5 15 ar 9 5 43 1 10 6 14 ar 11 6 16 ar 12 6 44 1 13 7 9 ar 14 7 11 1 15 7 15 ar 16 8 10 ar 17 8 12 1 18 8 16 ar 19 9 13 ar 20 9 17 ar 21 10 14 ar 22 10 18 ar 23 11 19 2 24 11 22 1 25 12 20 2 26 12 21 1 27 13 25 ar 28 14 26 ar 29 15 39 1 30 16 40 1 31 17 23 ar 32 17 41 1 33 18 24 ar 34 18 42 1 35 19 21 1 36 20 22 1 37 23 27 ar 38 23 29 1 39 24 28 ar 40 24 30 1 41 25 27 ar 42 25 45 1 43 26 28 ar 44 26 46 1 45 27 47 1 46 28 48 1 47 29 31 1 48 29 49 1 49 29 50 1 50 30 32 1 51 30 51 1 52 30 52 1 53 31 33 2 54 31 53 1 55 32 34 2 56 32 54 1 57 33 35 1 58 33 36 1 59 34 37 1 60 34 38 1 61 35 57 1 62 35 58 1 63 35 59 1 64 36 60 1 65 36 61 1 66 36 62 1 67 37 63 1 68 37 64 1 69 37 65 1 70 38 66 1 71 38 67 1 72 38 68 1