RDKit 3D 111113 0 0 0 0 0 0 0 0999 V2000 -14.2661 0.2751 1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2892 -0.0620 2.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8669 0.0636 1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7759 -0.8869 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5059 -1.0497 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8300 0.0858 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2933 1.1861 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6383 2.2790 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5240 1.7349 -1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3869 1.1180 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3556 0.6445 -1.8839 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8850 -0.2947 -2.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1647 0.0150 -1.2154 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4937 -1.2750 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 -0.9732 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 0.3712 0.9483 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2992 0.3190 1.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7229 1.7064 1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 1.6818 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 0.2317 0.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8888 0.0441 0.9104 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8854 0.4349 2.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 -1.4138 0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -1.9641 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3606 -1.2672 -1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 -1.3326 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6433 -0.5805 -1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -0.6107 -1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 0.1289 -2.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 0.2269 -2.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0674 -1.0922 -1.9878 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6266 -1.9447 -1.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 -1.0101 -2.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9607 -0.0644 -3.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2691 -0.8781 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 0.3174 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8652 0.2424 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7665 1.1103 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 0.6293 2.8805 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1779 1.5947 4.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7800 -0.6047 3.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 -0.8758 2.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1041 -1.9076 2.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -0.5013 0.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 0.8430 -0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8214 1.0241 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4912 -0.6764 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2141 0.7089 1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3272 0.7003 3.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4322 -1.0619 2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1053 0.0179 2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9256 1.1080 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1055 -1.8958 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5845 -0.6907 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7362 -1.6081 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6454 -1.8478 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5498 0.5479 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9979 -0.3880 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4033 0.7395 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9136 1.6139 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2702 3.0315 -0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4125 2.7832 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9556 1.0303 -2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1625 2.5941 -2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6449 0.3327 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8993 1.9387 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9927 1.4969 -2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6704 -0.7662 -2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 -0.2273 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 -1.6466 -0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7974 -2.0944 -0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6317 -1.6989 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3105 -1.0057 1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 1.1280 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 -0.0770 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 2.4902 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 1.8467 2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 2.2829 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 1.9681 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -0.0609 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 0.6488 0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 1.3295 2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -1.5492 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 -1.9686 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -1.9484 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -3.0254 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 -0.2375 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -1.8397 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -0.8458 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 -2.3881 -0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3048 0.4706 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -1.0511 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -0.1268 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -1.6946 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5069 1.1564 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 -0.3150 -3.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8168 0.8327 -2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5095 0.7858 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7595 -1.6887 -2.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 -1.5519 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9131 -2.0137 -2.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9205 0.1034 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3820 -0.8863 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1372 -1.8198 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0363 1.2794 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9405 0.1851 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0097 2.0475 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4859 0.4375 2.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7071 1.1819 4.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1035 1.6264 4.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5511 2.5919 3.7368 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 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 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 45 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 44 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 45 13 1 0 44 17 1 0 42 37 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 6 12 68 1 0 13 69 1 6 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 1 17 75 1 1 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 6 21 81 1 6 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 6 32100 1 0 33101 1 6 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 38107 1 0 39108 1 6 40109 1 0 40110 1 0 40111 1 0 M END