RDKit 3D 122125 0 0 0 0 0 0 0 0999 V2000 -9.9000 0.8494 2.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 -0.0393 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0418 0.1813 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1326 1.3451 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1808 1.6851 -0.8744 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0141 1.9683 -2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0355 0.9070 -1.2648 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2317 -0.4825 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7353 -0.6577 -2.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 -0.3205 -0.9633 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6309 0.0288 -1.0336 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1774 0.8795 -2.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 1.1942 -1.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0934 1.1599 -0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 1.4885 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 0.7280 0.2638 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2667 0.0712 -0.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 0.3277 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6371 1.1958 1.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -0.3247 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7455 -1.7726 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 -2.5133 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2379 -1.9062 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1947 -1.9552 1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4381 -1.3495 2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -0.8530 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 -0.2731 3.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0268 0.9640 2.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1907 1.7872 1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7413 2.2554 0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1478 1.2867 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2487 0.3658 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5992 -0.5368 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8604 -1.2709 -2.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1416 -2.1426 -3.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9834 -1.7109 -4.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3475 -2.8411 -6.0149 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.2424 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -0.5306 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7433 0.7945 0.4133 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4519 1.7582 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 0.6315 0.2927 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8722 1.9830 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3336 1.9532 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 0.6582 -0.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4528 -0.0168 1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7981 -1.2235 1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9136 -2.4529 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7566 -3.6828 1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8277 -1.3501 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7459 -0.1401 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5446 0.6390 3.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3165 1.7442 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7862 0.3617 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5266 -0.7681 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8428 2.2332 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6709 1.3627 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8343 2.7485 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3594 1.0395 -2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3222 2.4648 -2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8063 2.6838 -1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5136 1.4398 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4654 -1.2580 -1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8368 -0.5006 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 -1.6714 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5931 0.0644 -3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.3261 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -0.9102 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2382 0.2655 -3.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 1.8142 -2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1733 1.4716 -2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 1.2476 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 2.6063 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 1.4835 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6303 0.2248 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -0.2428 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8844 -2.2576 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 -1.8598 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1031 -2.5229 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9114 -3.5533 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 -0.8941 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0835 -2.5570 -0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3489 -1.4276 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2326 -3.0326 2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4089 -0.7740 3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9772 1.3948 2.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2222 1.2133 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 2.6999 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 2.9229 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 3.0063 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4381 1.8110 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2335 0.7001 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9171 -0.3228 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1657 0.8868 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4769 -3.1397 -3.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6369 -0.6862 -4.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -1.2566 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 -0.0516 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 -0.9983 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -1.2230 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 1.5336 2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4866 1.6229 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 2.8098 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 -0.0319 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 2.6008 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 2.5376 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 2.3972 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5591 2.7269 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 -0.5822 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4879 0.6414 1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 -0.8189 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3405 -1.1910 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1354 -2.3997 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4404 -2.5041 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8757 -4.2155 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7500 -3.3907 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2208 -4.3339 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3911 -1.5838 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4666 -2.2226 0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7153 -0.3575 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9309 0.0657 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2631 0.7701 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 49 48 1 0 48 47 1 0 47 50 1 0 50 51 1 0 47 2 1 0 2 1 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 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 2 0 14 15 1 0 15 16 1 0 16 38 1 0 38 39 1 0 39 40 1 0 40 41 1 1 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 1 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 3 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 3 0 34 35 1 0 35 36 2 0 36 37 1 0 45 7 1 0 45 10 1 0 42 11 1 0 40 14 1 0 49115 1 0 49116 1 0 49117 1 0 48113 1 0 48114 1 0 47112 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 51122 1 0 1 52 1 0 1 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 1 6 59 1 0 6 60 1 0 6 61 1 0 7 62 1 6 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 1 11 68 1 6 12 69 1 0 12 70 1 0 13 71 1 0 15 72 1 0 15 73 1 0 16 74 1 1 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 41101 1 0 41102 1 0 41103 1 0 42104 1 1 43105 1 0 43106 1 0 44107 1 0 44108 1 0 46109 1 0 46110 1 0 46111 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 27 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 35 95 1 0 36 96 1 0 M END