RDKit 3D 95100 0 0 0 0 0 0 0 0999 V2000 -7.8136 -2.2403 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7875 -0.8536 -0.9008 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6022 -0.3747 -1.4321 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7926 0.5793 -2.5593 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0609 0.2551 -3.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5427 2.0116 -2.2244 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7282 2.6223 -1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 2.2443 -1.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 1.0910 -1.1622 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5965 1.4111 -0.4183 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 0.9250 -1.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6178 2.1467 -1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 1.6358 -1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 1.5409 0.0611 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2258 2.9948 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 0.7748 0.7740 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3038 -0.1867 1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 -0.8979 1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 0.2102 1.2788 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6566 1.0501 0.0864 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0913 0.2798 -1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 0.3233 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 -0.1059 0.1112 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3137 0.9088 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 -1.4508 -0.2001 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2436 -1.3197 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 -1.7873 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4275 -1.4167 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6726 -1.7012 -1.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8354 -0.7088 -2.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4673 -0.6180 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -2.1712 1.0876 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5487 -1.4760 2.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 -2.0451 3.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -1.2596 4.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4932 -3.3132 2.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -1.9253 1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3479 -0.3912 1.2557 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0299 0.0158 2.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -0.0134 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7346 0.2859 -0.3686 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1322 -0.6450 0.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2724 -0.5752 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 -1.5763 2.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 0.3330 2.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 -2.6782 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7821 -2.5170 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9018 -2.7125 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9784 -1.2270 -1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8752 0.5035 -2.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5405 0.4251 -4.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4786 2.5660 -3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4554 1.7994 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2850 3.3468 -2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4089 3.1622 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 0.5280 -2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 0.4061 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 2.4085 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 2.9762 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 2.3619 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 0.6323 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 3.1755 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 3.7026 -0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 3.2026 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 1.4704 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0921 0.3677 2.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 -0.9314 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -1.5561 2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7877 -1.4334 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 0.8721 2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 1.9436 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7939 0.8190 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7995 -0.7676 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 -0.2360 -2.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 1.3991 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 0.4522 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 1.8050 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 1.3195 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 -1.9977 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6198 -2.3610 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2055 0.4594 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -1.1293 -2.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -3.2481 1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -0.4164 4.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3317 -1.8949 4.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0139 -0.8223 3.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -2.4047 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 -2.2710 2.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 -0.1573 3.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -0.5508 0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 -0.7875 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2886 1.0111 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5309 -1.4146 2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1228 -1.5874 3.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7792 -2.6003 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 1 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 32 1 0 32 37 1 0 37 38 1 0 38 39 1 1 32 33 1 0 33 34 1 0 34 35 1 0 34 36 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 16 40 1 0 9 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 0 41 3 1 0 40 11 1 0 20 14 1 0 38 23 1 0 31 26 1 0 38 19 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 6 4 50 1 6 5 51 1 0 6 52 1 6 7 53 1 0 7 54 1 0 7 55 1 0 9 56 1 6 11 57 1 6 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 15 62 1 0 15 63 1 0 15 64 1 0 16 65 1 1 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 1 20 71 1 1 21 72 1 0 21 73 1 0 22 74 1 0 22 75 1 0 24 76 1 0 24 77 1 0 24 78 1 0 25 79 1 6 32 83 1 6 37 87 1 0 37 88 1 0 39 89 1 0 35 84 1 0 35 85 1 0 35 86 1 0 27 80 1 0 31 81 1 0 31 82 1 0 40 90 1 0 40 91 1 0 41 92 1 1 44 93 1 0 44 94 1 0 44 95 1 0 M END