RDKit 3D 110114 0 0 0 0 0 0 0 0999 V2000 0.6724 4.2759 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 3.2207 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 3.5117 -1.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 1.9049 -0.1827 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 0.9359 -0.7833 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5626 -0.1422 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 -1.2027 -0.6104 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4262 -2.5624 -1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 -1.2919 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2304 -1.2653 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -1.6349 1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -1.9808 1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -0.9337 0.7939 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8414 -0.6895 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 -1.8687 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.2584 2.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 0.4064 0.1925 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4831 -0.0247 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 0.6693 -0.2090 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5879 -0.0817 0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5426 -0.6498 -0.3719 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4282 -1.6223 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 -2.6725 0.8718 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4106 0.4114 -1.0257 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5837 0.5549 -0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 1.7610 -0.9744 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7408 2.2981 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2429 1.4060 -1.3332 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3574 0.6226 -2.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 -0.8956 0.5095 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3706 -2.2304 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 0.0574 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0512 1.0154 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 0.9372 0.2848 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3054 2.4142 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2791 0.3939 0.7684 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2448 -0.8042 1.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4535 0.3891 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7481 0.3855 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5530 -0.8881 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 0.2436 -0.8898 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5136 1.0870 -2.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5074 1.5521 -2.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7103 1.4153 -2.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 -0.1854 -0.7699 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0106 0.9986 -0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6113 -1.1007 -1.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -1.4316 -1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3578 3.9091 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 4.6058 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6872 5.1482 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9302 1.4530 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 -0.6082 -2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 0.3876 -2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -2.5803 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 -3.3983 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 -2.7838 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7748 -0.7723 2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 -2.5144 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -3.0003 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 -1.9038 2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8834 0.0395 1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 -2.8435 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5209 -1.7671 1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -1.8726 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -1.1387 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 0.2293 2.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 0.4618 2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 1.2752 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3169 1.4505 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 -1.1789 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 -2.0663 -0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0269 -1.0955 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5788 -3.3435 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6211 0.2157 -2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1274 1.3176 -0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 2.4219 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1212 1.6726 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 2.3772 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5182 0.7324 -2.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1983 -2.3924 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 -2.3026 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 -3.0994 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 0.6088 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -0.5482 2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 2.0542 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5973 1.0727 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3644 2.6276 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 3.0816 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 2.7211 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5827 1.2324 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1356 -1.7778 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1476 -0.7973 2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 -0.7110 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5680 1.2137 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8594 -0.5736 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6250 1.1683 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6187 0.5613 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2048 -0.6893 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0093 -1.7432 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6532 -1.1465 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -0.6579 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 0.8397 -3.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 1.9798 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 0.9701 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 1.0148 -1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9915 -0.6611 -2.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1581 -2.0529 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 -2.4819 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -0.7917 -2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 39 38 1 0 38 40 1 0 38 36 1 0 36 37 1 0 36 34 1 0 34 35 1 6 34 33 1 0 33 32 1 0 32 30 1 0 30 31 1 1 30 10 1 0 10 9 2 0 9 48 1 0 48 47 1 0 47 45 1 0 45 46 1 1 45 41 1 0 41 42 1 0 42 44 1 0 42 43 2 0 9 7 1 0 7 8 1 6 7 6 1 0 6 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 5 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 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 17 14 1 0 14 15 1 0 14 16 1 0 14 13 1 0 13 12 1 0 12 11 1 0 41 34 1 0 13 7 1 0 45 30 1 0 28 19 1 0 11 10 1 0 39 96 1 0 39 97 1 0 39 98 1 0 38 95 1 0 40 99 1 0 40100 1 0 40101 1 0 36 91 1 1 37 92 1 0 37 93 1 0 37 94 1 0 35 88 1 0 35 89 1 0 35 90 1 0 33 86 1 0 33 87 1 0 32 84 1 0 32 85 1 0 31 81 1 0 31 82 1 0 31 83 1 0 48109 1 0 48110 1 0 47107 1 0 47108 1 0 46104 1 0 46105 1 0 46106 1 0 41102 1 6 44103 1 0 8 55 1 0 8 56 1 0 8 57 1 0 6 53 1 0 6 54 1 0 5 52 1 6 1 49 1 0 1 50 1 0 1 51 1 0 17 69 1 1 19 70 1 1 21 71 1 6 22 72 1 0 22 73 1 0 23 74 1 0 24 75 1 6 25 76 1 0 26 77 1 6 27 78 1 0 28 79 1 6 29 80 1 0 15 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 16 68 1 0 13 62 1 1 12 60 1 0 12 61 1 0 11 58 1 0 11 59 1 0 M END