RDKit 3D 161164 0 0 0 0 0 0 0 0999 V2000 5.1386 8.0634 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 7.9527 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 6.7416 1.6335 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8441 6.6446 1.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 5.4382 2.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 5.2409 3.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4845 4.0965 4.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 2.6955 4.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 2.1757 2.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 0.6785 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 0.2480 2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 -0.6341 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 0.6262 2.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 0.2409 2.6704 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4948 -0.4983 3.8747 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4061 -1.7187 4.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 -1.0909 3.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 1.5039 2.3369 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0164 1.6253 2.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0165 1.8369 3.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 1.8957 4.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4047 1.9839 2.6594 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4015 1.1926 3.3302 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 0.4320 2.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2509 0.5182 1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3195 -0.4018 3.1208 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2463 -1.1183 2.2218 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5946 -1.2151 2.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8496 -0.7077 3.9046 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5709 -1.8543 2.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6423 -2.4773 1.8830 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4192 -3.3292 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5425 -3.2111 0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 3.4667 2.6535 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8814 4.2260 1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6263 5.6302 2.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 5.6355 3.6014 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 4.8669 4.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 4.8368 5.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 4.0250 3.9704 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 1.9979 1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 3.0047 1.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 1.2255 -0.1042 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 1.4772 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 0.5720 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 0.7007 -3.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 0.3834 -4.5058 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -0.8131 -4.9746 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3131 -1.4892 -5.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 -0.9968 -6.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 -2.6619 -6.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -1.8564 -4.2315 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2787 -2.8653 -5.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 -3.0728 -5.5847 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7036 -2.6274 -6.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -3.0080 -7.2791 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1610 -3.2572 -8.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 -3.6535 -8.9389 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -4.3190 -6.6005 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3154 -4.2089 -5.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9797 -4.5028 -5.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2439 -5.2044 -4.6161 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 -6.3825 -4.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 -2.3643 -3.0605 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0584 -2.8355 -3.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -3.4974 -2.1649 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2187 -4.5890 -2.4138 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 -5.1588 -1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -6.2082 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -6.6555 -2.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -7.6042 -3.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 -6.0603 -3.8491 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 -5.0319 -3.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 -4.5398 -4.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -3.8826 -1.3896 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1182 -2.8903 -0.4151 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.6066 -2.4530 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1849 -3.3153 -1.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 7.6931 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 7.5854 3.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 9.1531 2.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 8.0163 3.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 8.8358 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 6.7803 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 7.2548 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 7.0531 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 5.5822 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 5.3850 2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3694 4.6646 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 5.1535 3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 6.2078 4.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 4.2223 5.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 4.2690 4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 2.5163 3.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 2.0084 4.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 2.6796 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 2.2365 3.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 0.4060 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 0.1526 3.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.4718 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 0.1200 4.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.3737 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4684 -2.3138 3.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -1.3820 4.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 -0.8103 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -2.2171 3.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 -0.8243 4.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 2.2454 3.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 1.5231 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 1.6941 1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 1.1773 4.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4478 -0.5548 4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2091 -0.5425 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1506 -2.5631 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6518 -2.3101 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4817 -3.9246 2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2452 -2.6751 3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2674 -4.0090 3.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1236 -2.5037 0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2414 -3.8258 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9021 -3.7808 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8091 3.5080 2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2278 4.2685 0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 3.7400 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 6.2684 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 6.0426 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 5.4107 6.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 4.2761 6.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7193 3.8489 4.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 0.3539 0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 2.5181 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 1.3183 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 0.8854 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 -0.4399 -1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 1.8355 -4.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 0.2544 -4.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 1.1082 -4.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -0.5281 -5.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -2.8160 -7.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.4179 -3.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 -2.4871 -5.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6768 -2.2054 -6.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 -4.1113 -9.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -2.3631 -9.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9307 -3.3919 -9.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7547 -4.6169 -8.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 -5.1693 -7.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -5.0780 -5.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 -5.0240 -6.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8084 -6.9334 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -6.0093 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -6.9886 -3.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -1.6523 -2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.7287 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -4.7923 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -6.6902 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -6.3891 -4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 -4.8967 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 -2.6181 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0247 -4.4601 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 -3.8855 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 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 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 14 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 27 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 38 40 1 0 18 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 48 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 56 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 62 63 1 0 52 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 2 0 66 75 1 0 75 76 1 0 75 77 1 0 77 78 1 0 40 34 1 0 61 54 1 0 77 64 1 0 73 67 1 0 1 79 1 0 1 80 1 0 1 81 1 0 2 82 1 0 2 83 1 0 3 84 1 6 4 85 1 0 4 86 1 0 4 87 1 0 5 88 1 0 5 89 1 0 6 90 1 0 6 91 1 0 7 92 1 0 7 93 1 0 8 94 1 0 8 95 1 0 9 96 1 0 9 97 1 0 10 98 1 0 10 99 1 0 14100 1 6 15101 1 1 16102 1 0 16103 1 0 16104 1 0 17105 1 0 17106 1 0 17107 1 0 18108 1 1 19109 1 0 22110 1 6 23111 1 0 26112 1 0 27113 1 6 30114 1 0 31115 1 6 32116 1 0 32117 1 0 32118 1 0 33119 1 0 33120 1 0 33121 1 0 34122 1 6 35123 1 0 35124 1 0 36125 1 0 36126 1 0 39127 1 0 39128 1 0 40129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 48138 1 6 51139 1 0 52140 1 1 54141 1 1 56142 1 1 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 6 60148 1 0 61149 1 6 63150 1 0 63151 1 0 63152 1 0 64153 1 1 66154 1 1 68155 1 0 69156 1 0 72157 1 0 75158 1 1 76159 1 0 77160 1 6 78161 1 0 M END