RDKit 3D 104109 0 0 0 0 0 0 0 0999 V2000 2.3461 0.5718 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 1.5917 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 2.9339 -3.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5524 1.3739 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 0.3859 -0.9914 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4367 0.4261 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -0.7154 -0.0102 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4396 -0.5613 -0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -0.2324 0.2607 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4627 1.1956 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5439 1.4567 1.5888 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6813 -1.2408 1.3366 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0585 -0.6356 2.5581 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -2.1335 1.5835 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5041 -3.2850 0.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 -1.3661 1.3503 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0266 -0.4241 2.3953 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 0.7651 -0.2931 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3493 2.1291 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 -0.1896 0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 -0.0645 1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 0.3975 0.5205 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7793 1.9030 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 -0.0090 -0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8306 -0.9663 -1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -1.7082 -1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 -0.7402 -0.2855 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2648 -1.2324 -0.0689 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4256 -2.4129 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7437 -1.6783 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2516 -1.8445 -1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9794 -0.6249 -1.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3320 -0.9285 -0.9382 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5092 -0.0320 0.2175 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2235 -0.6700 1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0271 1.3996 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7657 2.1888 1.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0553 -0.0130 0.3142 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4733 0.3410 1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0665 0.9171 1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -0.1731 0.8669 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9320 -1.0986 2.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 0.5621 -1.3598 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0310 1.6428 -2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 -0.4388 -3.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 0.6662 -4.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 0.8761 -4.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4619 3.7033 -2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8536 3.0851 -4.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 3.0257 -4.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 0.9622 -2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 2.3582 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -0.6141 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 -1.4612 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 -0.2815 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 1.5255 1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6077 1.9076 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2461 1.8206 2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5173 -1.9294 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6166 -1.2658 3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 -2.4473 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -3.2615 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 -2.0968 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6354 -0.8832 3.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4272 2.4747 0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 2.1117 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 2.9543 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.1401 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 -1.2196 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 0.6366 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -1.0428 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7024 2.3678 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5412 2.4572 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 2.2072 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 -1.2474 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 -2.6243 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 -2.1457 -1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0206 0.1415 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9198 -2.2752 1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 -2.9605 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 -3.2030 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4239 -0.9998 -2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -2.7474 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5009 -2.0802 -2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6183 -2.6981 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9114 0.1807 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8740 -0.7055 -1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8289 -0.3017 2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2684 -1.7735 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2999 -0.3347 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1551 1.3802 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6878 1.8354 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4394 2.9044 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 0.8091 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0364 1.2099 2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 -0.4156 2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 1.2936 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 1.6358 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -0.5079 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 -1.3916 2.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 -2.0560 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 -0.2897 -1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9076 2.6697 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 1.4378 -3.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 1 0 18 19 1 1 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 1 34 36 1 0 36 37 1 0 34 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 1 24 43 1 0 43 44 1 0 44 2 1 0 16 7 1 0 43 18 1 0 41 22 1 0 41 27 1 0 38 28 1 0 1 45 1 0 1 46 1 0 1 47 1 0 3 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 6 7 54 1 6 9 55 1 6 10 56 1 0 10 57 1 0 11 58 1 0 12 59 1 6 13 60 1 0 14 61 1 1 15 62 1 0 16 63 1 6 17 64 1 0 19 65 1 0 19 66 1 0 19 67 1 0 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 23 72 1 0 23 73 1 0 23 74 1 0 25 75 1 0 26 76 1 0 26 77 1 0 27 78 1 6 29 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 6 33 87 1 0 35 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 38 94 1 6 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 42 99 1 0 42100 1 0 42101 1 0 43102 1 6 44103 1 0 44104 1 0 M END