RDKit 3D 111111 0 0 0 0 0 0 0 0999 V2000 -5.4947 -3.1273 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3259 -3.3911 0.4599 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3668 -2.3243 1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 -3.4955 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -2.3072 -0.9037 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0929 -2.5967 -1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 -2.4865 -2.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1839 -2.8951 -0.5723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1263 -3.0871 -0.2660 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3662 -3.5481 1.1563 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6620 -4.9284 1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 -2.6672 2.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 -2.0090 -0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 -1.4812 -1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -1.3914 -0.3551 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 -1.2915 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 -0.7987 0.8882 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9982 -0.6597 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 -1.9204 1.2082 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2414 -1.5879 1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -2.7177 2.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 0.5456 1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 0.6756 2.2638 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9529 1.5223 0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 1.9710 -0.8571 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3521 2.3674 -1.8957 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6896 2.8959 -3.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 3.4641 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 3.1630 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 4.2663 -0.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 3.1953 -0.2161 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 4.2416 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 2.3191 0.7190 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7732 2.9749 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 4.1905 2.2109 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4966 4.8427 2.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 3.7009 3.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0608 1.0371 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 0.1108 0.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 0.7296 -0.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 0.8307 -1.6602 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8093 2.0370 -1.6576 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8354 1.8123 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 2.1660 -3.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 -0.3463 -2.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -0.1706 -2.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 -1.7120 -1.9086 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 -2.6139 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6404 -3.8922 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4123 -3.2777 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 -2.0875 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5627 -4.3478 1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 -2.3918 2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4909 -1.3029 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -2.5154 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 -4.4305 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -3.7268 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -1.5512 -0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -4.0379 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 -3.7301 1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6456 -5.3831 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -4.7996 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -5.5694 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 -3.0457 3.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 -1.5996 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -2.7976 1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -0.9664 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 -0.5117 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 -2.2901 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -1.5343 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 -0.2146 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 0.1056 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.6164 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 -0.8255 2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7043 -1.1970 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7041 -2.4973 1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2278 -3.2379 2.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 -3.4904 2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9491 -1.9689 3.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.1939 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 1.4459 -2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 4.0225 -3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 2.5314 -3.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 2.6421 -3.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 4.4568 -1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 3.4293 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2959 3.1580 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 5.1814 -0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 3.9553 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 4.4575 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0886 2.1217 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 2.2216 2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 3.1475 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 4.8915 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3088 4.9624 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 4.1758 3.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 5.8228 3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 2.7221 3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 3.5981 2.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 4.4825 4.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 1.0971 -2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 2.9680 -1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8443 1.5792 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 2.6919 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 0.9392 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5738 1.9990 -2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9753 1.5491 -3.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3904 3.2177 -3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -3.6578 -2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8621 -2.3255 -3.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 -2.4514 -3.9162 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 17 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 33 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 41 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 47 5 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 1 3 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 1 9 59 1 6 10 60 1 1 11 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 12 66 1 0 16 67 1 0 16 68 1 0 16 69 1 0 17 70 1 1 18 71 1 0 18 72 1 0 19 73 1 6 20 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 21 79 1 0 25 80 1 6 26 81 1 6 27 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 32 90 1 0 33 91 1 1 34 92 1 0 34 93 1 0 35 94 1 6 36 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 37100 1 0 41101 1 6 42102 1 1 43103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 44108 1 0 48109 1 0 48110 1 0 48111 1 0 M END