60396764 -OEChem-04262403233D 59 61 0 0 0 0 0 0 0999 V2000 -3.0150 -3.6057 -0.4555 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 -0.3225 1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 1.7470 -1.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0627 -1.0092 -0.2097 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9051 0.2042 -0.4975 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 0.2996 -0.0865 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 0.6515 0.6562 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2719 -1.3824 -1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 -2.1295 0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 -2.5070 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6443 -3.2148 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 0.2511 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8577 1.3703 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 -0.2168 0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -0.7454 -1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 0.3416 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 0.1222 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 2.6196 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 1.2858 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 -0.2805 -2.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 1.3225 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5733 1.5312 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8511 2.7103 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 0.4035 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3701 -0.0846 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 0.8117 -0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 -0.2487 1.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 0.5677 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 -0.4928 2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -0.5725 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 -1.7521 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4997 -2.5337 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 -1.7997 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 -2.1713 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 -2.8699 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 -4.0988 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 -2.8745 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1631 0.2861 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 -1.2872 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 -0.8290 -2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -1.7519 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9290 0.7569 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6886 -0.6225 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 -0.3884 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 1.2109 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 3.5297 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 0.7699 -3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8372 -0.4186 -2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 -0.8730 -3.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 2.2207 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 0.8757 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 1.6514 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6548 1.5475 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3483 3.6734 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3251 0.3175 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 1.3204 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -0.5729 2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 0.9123 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 -1.0015 2.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 19 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 22 2 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 7 55 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 18 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 M END > 60396764 > 1.2 > 7 72 60 1 31 91 85 3 30 89 75 86 9 77 52 18 45 73 83 68 84 71 15 53 6 70 25 58 74 63 28 22 49 80 47 43 78 79 59 69 44 24 50 64 20 61 11 19 88 46 48 62 65 16 35 57 87 67 54 39 82 26 40 56 10 8 13 81 38 17 32 76 66 51 2 41 27 42 5 12 33 14 23 36 4 21 55 90 34 29 37 > 35 1 -0.56 10 0.28 11 0.28 12 0.41 13 0.09 14 0.27 15 0.27 16 0.27 17 0.28 18 -0.15 19 0.54 2 -0.36 22 0.16 23 -0.15 24 0.12 25 0.08 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 4 -0.84 46 0.15 5 -0.81 53 0.15 54 0.15 55 0.37 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.62 7 -0.55 8 0.37 9 0.37 > 11.2 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 cation 1 6 acceptor 1 7 donor 6 1 4 8 9 10 11 rings 6 24 25 26 27 28 29 rings 6 6 12 13 18 22 23 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 039994DC00000007 > 102.1502 > 50.747 > 10 15 12901555637356052128 10165383 225 18273215262834598881 10411042 1 17977381961330240603 11135926 11 17894898612625776738 11200772 48 18408889550766143914 11524674 6 17632289073551363583 12082328 90 18260546745082255658 12655364 131 13613979755033918652 13757389 114 18410290282041977157 14856354 85 18410859867060137093 150020 25 18131638877119054492 15183329 4 16587745357001120062 15230672 131 18340202978107271430 15419008 91 18201706376406988928 15510794 2 17988924466746299782 15685185 35 16588891091030149428 20281389 69 13695588858870873380 21792965 131 14924221677066696673 21795232 338 18338520854201872411 23559900 14 17917421056042906520 24771293 8 17968373563805868300 249057 3 18411417319492842525 25269216 80 18189915252059326726 2838139 119 16370722643640371324 3610482 184 17967256386206995978 397830 11 17916009352159210752 4073 2 18412261749102699970 5265222 85 18343579672324708874 5758199 1 17604150337524125144 58083652 198 14836397052095604730 58902169 19 17894355480204886238 59755656 520 16877943836579098369 > 559.27 22.75 2.8 1.68 46.62 1.8 0.3 -5.93 6.17 -7.17 0.35 3.14 0.38 1.28 > 1169.168 > 316 > 2 5 10 $$$$