RDKit 3D 110115 0 0 0 0 0 0 0 0999 V2000 -7.3694 0.8659 2.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5195 0.7177 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4809 1.4932 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 1.3527 -0.2804 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1531 2.2968 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 3.1807 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9701 4.1504 -2.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 3.2104 -1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 3.7681 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 3.0819 0.0593 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0863 4.0292 0.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 2.1358 1.1905 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1145 2.4736 2.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 0.6440 0.7551 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0104 0.0309 0.9017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 -1.2871 0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2568 -2.3717 1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 -3.6294 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -3.8612 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -2.7600 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 -1.4768 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -0.3894 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 0.7788 -0.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 -0.6758 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9025 0.3255 -0.9727 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4833 -0.0789 -2.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 0.6457 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 0.4684 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2313 1.1436 -0.5405 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2982 1.4627 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3999 0.7133 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 0.9903 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6930 2.0157 1.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9044 1.8799 2.5608 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 0.7844 2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 0.1855 2.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1538 -0.9647 1.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2785 -1.5098 0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0710 -0.9271 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6754 0.2122 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 0.0712 1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3731 -0.6617 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -1.8608 0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4527 -0.0648 -0.6008 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9884 -0.3381 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -0.3401 -2.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1707 -0.6130 -2.7327 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9681 -1.4809 -1.8877 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4683 -2.8720 -2.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -3.9696 -1.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5744 -4.0346 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4757 -5.2733 -1.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6763 -0.9523 -0.5189 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8592 -0.3108 0.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9465 0.1174 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1047 1.8405 2.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2299 0.0141 3.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4288 0.9722 2.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2491 2.2331 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 1.6989 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1967 2.3103 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2176 4.2483 -3.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9384 3.7560 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0832 5.1497 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 2.2348 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 3.8599 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 4.8578 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 3.8664 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7407 2.5130 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 4.5383 1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 2.2230 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 3.2782 2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 0.6727 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 0.7487 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 -2.3053 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -4.4950 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 -4.8142 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3614 -2.9389 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -1.5911 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3529 1.2987 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 0.8104 -2.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4735 -0.5473 -2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8067 -0.7606 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3379 1.2724 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2362 2.2629 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4299 -0.1038 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9788 2.8132 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 2.5154 3.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3853 0.6718 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1130 -1.4368 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6215 -2.4097 0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4030 -1.3714 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1839 0.9109 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3334 -0.5229 2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4114 -0.2776 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9967 -1.4297 -2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7016 -3.0596 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 -2.9822 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9088 -3.9822 -0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1003 -3.1216 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0428 -4.9706 -1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6516 -4.1070 -2.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 -5.3645 -1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0256 -6.1590 -1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -5.2608 -2.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -1.8425 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3781 -1.1223 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4001 1.0438 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7947 -0.6055 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5920 0.4438 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 14 41 1 0 41 42 1 0 42 43 2 0 44 42 1 1 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 48 53 1 0 53 54 1 0 54 55 1 0 54 2 1 0 44 4 1 0 21 16 1 0 40 32 1 0 53 44 1 0 40 35 1 0 1 56 1 0 1 57 1 0 1 58 1 0 3 59 1 0 4 60 1 1 5 61 1 0 7 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 6 11 70 1 0 12 71 1 1 13 72 1 0 14 73 1 6 15 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 26 82 1 0 26 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 33 87 1 0 34 88 1 0 36 89 1 0 37 90 1 0 38 91 1 0 39 92 1 0 41 93 1 0 41 94 1 0 47 95 1 0 48 96 1 6 49 97 1 0 49 98 1 0 50 99 1 1 51100 1 0 51101 1 0 51102 1 0 52103 1 0 52104 1 0 52105 1 0 53106 1 1 54107 1 1 55108 1 0 55109 1 0 55110 1 0 M END