RDKit 3D 111116 0 0 0 0 0 0 0 0999 V2000 7.1981 -2.6745 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 -1.4746 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2159 -1.4123 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2225 -0.1828 0.6664 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6676 -0.0175 1.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1372 0.9991 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4807 2.2189 0.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1693 -0.3677 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 0.8244 -0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 0.5772 -1.5994 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9771 0.2766 -2.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 -0.4490 -1.3614 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2729 -0.6073 -2.6169 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9792 -1.1250 -3.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 -1.7024 -2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 -1.0559 -0.7631 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7115 -2.2312 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -0.3233 -0.9015 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8571 -0.0909 -2.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 0.0971 -2.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 1.5103 -1.5980 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6247 1.8277 -0.4800 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4404 1.2098 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 1.0127 -0.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8362 1.8169 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 0.9906 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -0.3311 -0.2916 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7980 -1.1263 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5119 3.3688 -0.4608 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2144 3.8241 0.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7822 4.0321 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 3.1480 -0.5433 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1409 3.8572 -0.7014 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9444 1.9444 -1.4785 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3876 2.5030 -2.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 0.9695 -0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8382 0.5940 -1.7434 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9238 0.3936 0.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8857 -0.5434 0.7143 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6909 -0.0937 1.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9121 -0.7803 1.6085 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9613 -0.1888 2.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1831 -0.8388 2.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6912 -2.2183 1.9441 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8525 -2.9282 1.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5301 -2.8302 1.2177 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1738 -4.0018 1.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3515 -1.8907 1.0539 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6516 -2.3629 -0.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7720 -3.5199 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 -2.3808 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -3.0210 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4442 -1.6788 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -0.8849 2.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4729 -2.4810 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1377 -1.0639 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0674 -0.6303 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8005 0.8995 -0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 0.9899 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 2.3353 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.2157 -0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6887 -0.6003 -1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8807 1.6792 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 1.2048 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 1.6027 -1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 0.8674 -2.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 0.6952 -3.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -0.7748 -2.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7175 -1.4387 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 0.3104 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 -2.1298 -3.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -2.4977 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7193 -2.1907 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 -1.9194 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -2.9106 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5879 -2.8504 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -0.9724 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 -0.9161 -2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 0.8875 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 0.0322 -3.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7316 -0.6601 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 2.1325 -2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0571 0.3143 1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 1.7958 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 2.0110 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 2.7487 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 1.5338 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 0.7597 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -1.3552 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -1.9776 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 -0.4199 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 3.6809 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 4.6365 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 4.9763 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7834 4.3257 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8652 2.8428 0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 4.2952 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7936 1.6410 -3.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 3.2061 -2.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 2.9812 -3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5739 -0.6820 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2828 -0.7256 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5952 -0.1723 3.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0970 0.8951 2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8719 -0.2214 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6022 -2.3204 3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4491 -3.0580 2.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9037 -3.1682 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9099 -4.2995 2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7467 -1.9304 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 -3.3602 0.0570 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 1 4 6 1 0 6 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 24 23 1 1 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 22 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 1 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 41 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 27 12 1 0 48 39 1 0 27 16 1 0 24 18 1 0 34 21 1 0 24 22 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 3 56 1 0 5 57 1 0 6 58 1 0 6 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 6 11 66 1 0 11 67 1 0 11 68 1 0 12 69 1 1 13 70 1 6 14 71 1 0 15 72 1 0 15 73 1 0 17 74 1 0 17 75 1 0 17 76 1 0 18 77 1 1 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 6 23 83 1 0 23 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 28 89 1 0 28 90 1 0 28 91 1 0 29 92 1 6 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 1 33 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 39101 1 6 41102 1 6 42103 1 0 42104 1 0 43105 1 0 44106 1 1 45107 1 0 46108 1 6 47109 1 0 48110 1 1 49111 1 0 M END