RDKit 3D 100104 0 0 0 0 0 0 0 0999 V2000 3.4824 2.1123 -1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 1.1072 -0.3189 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9973 1.7085 0.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 0.8134 1.1890 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1927 0.3948 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 0.6214 1.2766 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9842 1.4949 0.6422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6539 2.8347 0.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 1.3579 1.5755 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9966 2.5762 1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 2.9961 0.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5077 4.1058 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 4.7397 1.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 4.5936 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 4.0157 -1.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9626 4.4842 -2.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7528 5.6039 -2.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4637 6.0427 -4.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3677 5.3413 -5.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1012 5.8211 -6.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5875 4.2134 -5.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8988 3.8034 -4.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 0.2408 1.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -0.9031 1.0544 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0272 -1.3003 -0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 -2.2209 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8646 -3.5482 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9367 -4.0026 0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 -5.3858 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -5.7711 2.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8762 -7.0357 2.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -7.9623 2.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 -9.2608 2.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 -7.5927 1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9032 -6.2988 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -0.6723 1.6490 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7346 -0.8628 3.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -0.2896 1.5297 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9215 -1.0246 2.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 0.4512 1.9517 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2065 1.6304 2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2404 0.8659 0.6248 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0452 -0.1985 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3909 0.1195 0.1654 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8703 -0.0986 -1.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2653 -0.0167 -1.1356 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7806 0.2215 -2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 -0.8494 -3.3246 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8223 -1.3583 -0.6619 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1923 -1.2974 -0.4529 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0535 -1.7418 0.5637 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2244 -2.8400 0.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2452 -0.6278 1.1520 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1232 0.2938 1.7488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 3.1461 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 2.0271 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 1.8814 -2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 0.1945 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 1.3323 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.1159 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 1.1743 -0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4449 3.1738 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8256 1.1321 2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7065 2.4507 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3084 3.4096 2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8549 5.4703 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 3.1221 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8596 6.1989 -2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0763 6.9453 -3.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6104 6.4817 -6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5311 3.6699 -6.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2702 2.9174 -4.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -1.6319 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 -2.3757 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0096 -1.8279 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 -4.2815 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 -3.3787 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 -5.0711 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 -7.3455 3.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 -10.0263 2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6513 -8.2758 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7222 -6.0503 0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.4895 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 -1.8200 3.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -1.0099 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -0.3768 3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -0.1284 2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 2.4008 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 1.8222 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4556 1.2224 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 0.7714 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4034 1.1842 -2.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 0.2153 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0994 -1.5403 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6496 -2.1508 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4577 -0.8436 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7711 -2.0607 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6456 -3.3595 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 -1.0527 1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6906 1.1924 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 12 13 2 0 9 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 32 34 1 0 34 35 2 0 24 36 1 0 36 37 1 0 5 4 1 0 4 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 42 2 1 0 2 1 1 0 2 3 1 0 36 6 1 0 22 16 1 0 35 29 1 0 3 4 1 0 53 44 1 0 6 60 1 1 7 61 1 6 8 62 1 0 9 63 1 1 10 64 1 0 10 65 1 0 14 66 1 0 15 67 1 0 17 68 1 0 18 69 1 0 20 70 1 0 21 71 1 0 22 72 1 0 24 73 1 1 26 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 30 78 1 0 31 79 1 0 33 80 1 0 34 81 1 0 35 82 1 0 36 83 1 6 37 84 1 0 4 59 1 1 38 85 1 6 39 86 1 0 40 87 1 1 41 88 1 0 42 89 1 1 44 90 1 1 46 91 1 1 47 92 1 0 47 93 1 0 48 94 1 0 49 95 1 6 50 96 1 0 51 97 1 1 52 98 1 0 53 99 1 1 54100 1 0 2 58 1 6 1 55 1 0 1 56 1 0 1 57 1 0 M END