RDKit 3D 109112 0 0 0 0 0 0 0 0999 V2000 -13.0495 -1.4678 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7791 -2.0294 0.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1408 -2.2524 -0.1846 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7904 -1.8051 -0.3616 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4212 -0.4923 -0.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0957 -0.2806 -0.2569 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7712 0.2131 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3368 0.1725 1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 1.2480 0.4977 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4399 1.3098 0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 2.2271 1.4752 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7233 1.7386 2.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6207 1.2177 1.3705 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 0.9465 2.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1231 1.3279 3.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 0.0880 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -0.1595 1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 0.1992 2.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -0.8801 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7521 -0.7974 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 -1.4730 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9157 -1.1327 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3091 -1.2474 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -0.3416 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3775 -0.2979 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9777 0.7565 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3373 0.8221 0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5139 1.2083 1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 2.8820 2.2329 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.7931 1.6339 1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5059 0.6637 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 0.2951 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7141 -0.9271 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0933 -2.0371 -1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1497 -2.9663 -1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5075 -4.1952 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5072 -2.6765 -0.9810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -0.2282 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 -1.0662 -0.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 0.7590 0.0489 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1942 1.5327 -1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 2.3721 -1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 3.2632 -2.2858 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9426 2.3180 -0.3202 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 3.0138 2.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 3.7169 1.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 4.3491 0.9033 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9634 4.6378 -0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 3.6035 0.7602 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0316 3.3851 -0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2631 1.2447 -0.9223 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4048 0.3812 -1.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 0.8583 -1.1571 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4182 1.9802 -0.6452 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4855 -2.4559 -1.6728 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5904 -3.7635 -1.1363 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3371 -4.8116 -2.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9499 -3.7702 -0.5093 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.9403 -4.1886 -1.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7151 -2.1130 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3828 -1.0639 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8648 -0.5833 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8683 -1.8734 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9852 -2.3401 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4477 -1.1500 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9909 1.2875 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2318 -0.3823 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 2.1408 1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7235 2.4701 2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7585 1.2467 3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 1.2441 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -1.4204 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -0.2125 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 -2.0411 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -0.3460 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 -1.8832 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 0.3112 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9301 -1.0110 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2995 1.3808 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6977 -0.0968 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4152 2.3130 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7141 -0.1760 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7529 0.5848 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5233 -0.6845 -0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1245 -2.2092 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1716 -4.9990 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6105 -4.3087 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4444 -4.3722 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 0.0223 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 1.9962 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9215 0.6915 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 4.3202 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 2.9132 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 3.0375 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8331 4.4489 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 5.4012 1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 4.1421 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 4.2876 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8762 2.4470 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1549 2.2459 -1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7117 0.4621 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9834 0.6991 -2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1691 2.2152 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8248 -3.8917 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4257 -5.8084 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9959 -4.7774 -3.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2422 -4.7632 -2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9643 -4.3271 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7768 -4.0966 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 58 1 0 58 59 1 0 58 56 1 0 56 57 1 0 56 55 1 0 55 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 49 1 0 49 50 1 0 49 47 1 0 47 48 1 0 47 46 1 0 46 45 1 0 45 12 1 0 12 13 1 0 13 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 2 0 40 38 1 0 38 39 2 0 38 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 16 14 1 0 14 15 2 0 9 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 4 3 1 0 53 6 1 0 12 11 1 0 14 13 1 0 1 60 1 0 1 61 1 0 1 62 1 0 3 63 1 6 58108 1 1 59109 1 0 56104 1 1 57105 1 0 57106 1 0 57107 1 0 4 64 1 1 6 65 1 6 7 66 1 0 7 67 1 0 9 68 1 1 11 69 1 1 49 98 1 1 50 99 1 0 47 96 1 1 48 97 1 0 46 94 1 0 46 95 1 0 12 70 1 1 40 89 1 6 41 90 1 0 41 91 1 0 43 92 1 0 43 93 1 0 18 71 1 0 19 72 1 0 20 73 1 0 21 74 1 0 22 75 1 0 23 76 1 0 24 77 1 0 25 78 1 0 26 79 1 0 27 80 1 0 30 81 1 0 31 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 36 86 1 0 36 87 1 0 36 88 1 0 51100 1 6 52101 1 0 53102 1 6 54103 1 0 M END