RDKit 3D 85 90 0 0 0 0 0 0 0 0999 V2000 -7.5358 2.1239 2.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8086 2.0773 1.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 2.3464 1.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8466 2.6625 2.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4986 2.9320 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 2.8887 1.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3807 2.5728 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7166 2.2877 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 1.7828 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 0.7247 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 -0.3872 -1.0686 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2481 -0.6006 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -0.9468 0.8214 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 -0.5410 -0.8602 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4535 -1.6178 -1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 -2.9536 -1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1294 -3.4143 -1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 -4.6874 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8426 -5.5008 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 -5.0618 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 -3.7866 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 0.6905 -1.3253 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 1.5079 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1793 2.3689 -1.5669 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 1.5450 0.5965 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2046 2.5148 1.5835 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9310 3.5712 1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 2.5417 1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 1.7000 0.4962 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 1.1155 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 0.4320 -1.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 1.2876 -0.5381 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6892 -0.0075 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 -1.0679 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7882 -1.0517 1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -2.2779 1.9048 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -3.0826 1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 -4.4150 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -4.9796 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0887 -4.2564 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 -2.9361 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -2.3583 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 2.2075 -1.5644 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9171 3.5399 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3283 1.7222 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 3.1695 1.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1404 1.3691 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6021 1.9246 2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3821 3.1313 3.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4238 2.6997 3.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 3.1907 3.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 2.7063 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5779 2.2696 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4624 0.7733 -2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 -1.3743 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2056 -0.8313 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -1.5662 -1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -1.2667 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -2.8166 -2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -5.0235 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 -6.4985 -0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -5.7234 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -3.4722 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 1.0217 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 0.4775 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 2.0339 2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 4.1103 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 4.1603 2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 3.1251 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 2.0099 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3155 1.6622 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7753 0.1603 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 -0.3290 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 -0.1821 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 -2.5612 2.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 -4.9952 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9607 -6.0271 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6742 -4.7464 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0043 -2.3392 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4094 3.9990 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 4.1781 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 3.4834 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3622 1.2574 -3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 1.0274 -3.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5673 2.5996 -3.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 8 2 0 8 7 1 0 7 6 2 0 6 46 1 0 46 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 25 1 0 25 23 1 0 23 24 2 0 23 22 1 0 22 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 14 12 1 0 12 13 2 0 12 11 1 0 11 10 1 0 10 9 2 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 32 43 1 0 43 44 1 0 43 45 1 0 6 5 1 0 5 4 2 0 4 3 1 0 9 8 1 0 42 34 1 0 25 26 1 0 21 16 1 0 42 37 1 0 1 47 1 0 1 48 1 0 1 49 1 0 7 52 1 0 26 66 1 1 27 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 25 65 1 1 22 64 1 0 14 56 1 1 15 57 1 0 15 58 1 0 17 59 1 0 18 60 1 0 19 61 1 0 20 62 1 0 21 63 1 0 11 55 1 0 10 54 1 0 9 53 1 0 32 71 1 1 33 72 1 0 33 73 1 0 35 74 1 0 36 75 1 0 38 76 1 0 39 77 1 0 40 78 1 0 41 79 1 0 44 80 1 0 44 81 1 0 44 82 1 0 45 83 1 0 45 84 1 0 45 85 1 0 5 51 1 0 4 50 1 0 M END