RDKit 2D 118124 0 0 0 0 0 0 0 0999 V2000 3.3802 -10.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0684 -9.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 -8.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 -9.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -7.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 -6.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 -6.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 -5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 -3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -4.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 -5.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -6.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4889 -6.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -3.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 -3.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 -3.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -5.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 -6.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -0.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 -4.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -5.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -7.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -3.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -4.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9911 -5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7415 -6.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4501 -4.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4811 -5.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5736 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3442 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 1.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2294 1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 2.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 3.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 5.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 2.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 -2.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5787 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 -2.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -4.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 -2.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 -3.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -10.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -11.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 -11.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 -8.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -10.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 -8.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 -10.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9822 -5.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -7.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -5.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -7.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2216 -4.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -5.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 -5.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -7.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 -7.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 2.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 2.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 4.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 -5.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 -3.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 -7.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -6.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -8.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2225 -2.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -5.3872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0495 -3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5706 -4.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3917 -6.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5122 -7.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 0.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 -2.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0002 -0.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 0.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 2.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 4.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2279 4.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 2.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 3.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 3.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0152 3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7942 4.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 5.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 5.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 6.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 -1.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -4.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -0.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 -0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -2.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -1.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -3.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -5.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 18 1 0 18 16 1 0 16 17 2 0 16 15 1 0 15 14 1 0 14 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 9 8 1 0 8 7 1 0 7 5 1 0 5 6 2 0 5 3 1 0 3 4 1 0 3 2 2 0 2 1 1 0 8 27 1 0 27 28 1 1 27 26 1 0 26 25 1 0 25 24 1 0 24 22 1 0 22 23 1 0 22 21 1 0 20 21 1 1 20 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 57 45 1 0 45 46 1 1 45 44 1 0 44 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 2 0 37 39 1 1 37 38 1 0 37 35 1 0 35 36 1 6 35 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 47 52 1 0 52 56 2 0 56 55 1 0 55 54 1 0 54 53 2 0 20 14 1 0 37 20 1 0 53 52 1 0 25 9 1 0 35 25 1 0 29 27 1 0 38 22 1 0 19 77 1 0 19 78 1 0 19 79 1 0 18 75 1 0 18 76 1 0 14 74 1 0 12 71 1 0 12 72 1 0 12 73 1 0 8 70 1 0 4 67 1 0 4 68 1 0 4 69 1 0 2 66 1 0 1 63 1 0 1 64 1 0 1 65 1 0 28 85 1 0 28 86 1 0 28 87 1 0 26 83 1 0 26 84 1 0 23 80 1 0 23 81 1 0 23 82 1 0 57113 1 6 58114 1 0 58115 1 0 62116 1 0 62117 1 0 62118 1 0 46103 1 0 46104 1 0 46105 1 0 44101 1 0 44102 1 0 39 97 1 0 42 98 1 0 42 99 1 0 42100 1 0 36 94 1 0 36 95 1 0 36 96 1 0 29 88 1 1 30 89 1 0 30 90 1 0 34 91 1 0 34 92 1 0 34 93 1 0 47106 1 1 50107 1 0 50108 1 0 50109 1 0 56112 1 0 54111 1 0 53110 1 0 M END