RDKit 3D 79 82 0 0 0 0 0 0 0 0999 V2000 3.4449 1.3299 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 0.0372 0.3964 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5081 -1.0495 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -1.4007 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9011 -0.5141 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 0.5121 -0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0021 -0.8700 1.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1694 -0.0421 1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 1.3147 1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6692 1.6146 2.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8651 2.2698 1.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4666 0.3985 -0.2745 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4983 1.1311 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0734 0.9461 -2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6288 0.3179 -1.0072 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8923 -0.3832 -1.1606 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3023 -0.7821 0.2720 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3977 -1.8792 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -1.4434 0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 -0.6868 -0.5403 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8429 -1.5723 -1.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7527 -1.0362 0.4028 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3190 -1.9917 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0311 -1.6223 1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 -0.6920 2.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6663 0.4915 2.7494 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3981 1.3737 3.7929 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 1.1716 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4499 0.3117 0.2428 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9102 1.1018 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 0.3893 -1.8276 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4825 1.3481 -2.7176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 1.1277 -4.2851 S 0 0 1 0 0 6 0 0 0 0 0 0 -2.6703 2.3444 -5.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 -0.0536 -4.8877 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6687 0.9209 -4.3054 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6009 2.0236 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 1.8918 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 1.2708 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.3147 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 -0.9223 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8715 -2.0014 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 -2.4434 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 -1.6716 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9768 -1.7266 2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -0.0124 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 -0.4967 2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6634 3.2733 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 1.0903 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 2.2031 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 0.8052 -2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 1.9457 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1117 0.2956 -3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 1.0527 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8528 -1.3739 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 0.1114 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -2.7982 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6099 -2.1614 1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 -2.4004 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.9341 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 -2.6253 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.6565 -2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -1.1381 -2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -2.3796 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7775 -2.9073 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 -1.5206 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5952 -2.6154 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -1.7732 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 -1.2355 3.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -0.2961 2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 0.1237 2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0684 2.1011 3.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9865 2.0538 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 1.6000 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5347 0.0688 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7885 1.4523 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 2.0525 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6433 -0.2741 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 0.0660 -4.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 31 1 0 31 30 1 0 30 29 1 0 29 28 1 0 28 26 1 0 26 27 1 0 26 25 1 0 25 24 1 0 24 22 1 0 22 23 1 6 22 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 31 32 1 0 33 32 1 1 33 36 1 0 33 34 2 0 33 35 2 0 12 2 1 0 2 1 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 11 1 0 9 10 2 0 20 12 1 0 20 15 1 0 17 16 1 0 22 29 1 0 12 49 1 1 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 1 16 55 1 6 31 78 1 6 30 76 1 0 30 77 1 0 29 75 1 6 28 73 1 0 28 74 1 0 26 71 1 6 27 72 1 0 25 69 1 0 25 70 1 0 24 67 1 0 24 68 1 0 23 64 1 0 23 65 1 0 23 66 1 0 17 56 1 1 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 21 61 1 0 21 62 1 0 21 63 1 0 36 79 1 0 2 40 1 1 1 37 1 0 1 38 1 0 1 39 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 11 48 1 0 M END