RDKit 3D 103104 0 0 0 0 0 0 0 0999 V2000 -8.7777 1.3807 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3226 1.3052 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3651 0.1595 1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1143 0.2872 0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3674 1.5523 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1366 1.7849 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 0.7341 0.5352 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9080 1.2087 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 2.3315 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.3267 1.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5728 3.3844 -0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 3.2489 -1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 4.4070 -1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 5.5500 -1.2577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 4.3363 -1.4846 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 3.3078 -0.7782 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7236 4.0850 -0.2780 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4912 4.6764 -1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 5.2097 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7714 2.7531 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 3.6640 1.0919 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6668 1.4111 0.7826 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7186 0.4645 1.0285 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6928 0.2563 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7602 -0.7208 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -2.0533 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 -2.8776 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8983 -2.3583 1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9393 -1.0210 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8857 -0.2152 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 -0.8423 1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0727 -1.5765 2.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 -1.3939 1.3654 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -1.7143 0.2174 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8374 -2.5245 -0.8309 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3768 -3.8166 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 -2.8163 -1.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -2.4859 0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 -3.4767 1.4141 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 -2.2648 0.3192 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -2.2492 -0.9515 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6702 -3.6360 -1.3292 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6365 -4.6900 -1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 -4.0797 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2646 -5.4426 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -1.3064 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 -1.3781 -1.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -0.4825 0.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1281 2.1162 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8298 1.6743 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6875 0.3689 -0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2367 1.0736 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 2.2652 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 0.1690 2.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8944 -0.7881 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -0.6300 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4205 0.2201 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1005 2.3903 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1529 1.6147 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4564 1.8986 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 2.8093 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 0.6838 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 1.5322 -1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 0.4008 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 4.3779 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 2.2822 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 3.3458 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 5.0462 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 2.5842 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3913 3.4259 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 4.0247 -2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1762 5.7062 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5549 4.8005 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 4.8907 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 5.5931 0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0108 6.0484 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 1.0601 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 0.8380 1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -0.1234 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 1.1668 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 -2.4677 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 -3.9269 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 -2.9896 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 -0.6227 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9224 0.8245 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 -1.6472 2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 -0.7639 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -1.9559 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6031 -4.6075 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -3.6592 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -4.1833 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 -3.6875 -2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 -2.0788 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 -1.9106 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -3.5580 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -4.6005 -2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -4.9014 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 -5.6501 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5682 -3.3807 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2595 -4.1648 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2294 -5.5432 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 -5.5237 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 -6.2701 -0.3090 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 16 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 23 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 34 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 44 45 1 0 41 46 1 0 46 47 2 0 46 48 1 0 48 7 1 0 30 25 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 1 8 63 1 0 8 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 15 68 1 0 16 69 1 6 17 70 1 1 18 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 19 76 1 0 22 77 1 0 23 78 1 1 24 79 1 0 24 80 1 0 26 81 1 0 27 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 33 86 1 0 34 87 1 6 35 88 1 6 36 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 40 93 1 0 41 94 1 6 42 95 1 6 43 96 1 0 43 97 1 0 43 98 1 0 44 99 1 0 44100 1 0 45101 1 0 45102 1 0 45103 1 0 M END