RDKit 3D 99104 0 0 0 0 0 0 0 0999 V2000 -0.6818 -3.7487 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.5668 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 -1.8656 -1.1375 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9441 -2.7156 -2.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8768 -1.3457 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 -0.4234 -0.6225 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7209 -0.0369 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -0.6866 -0.7186 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9393 0.2156 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3052 -0.3889 -0.2301 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5840 -0.8969 1.0982 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5824 0.1157 2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8705 -1.5516 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5296 -1.4706 -1.2222 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5731 -2.7459 -0.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4475 -1.3576 -2.2751 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7686 -2.3173 -3.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1902 -1.5875 -1.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 0.6780 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 1.9491 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 2.0458 0.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 3.0397 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 2.8938 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 1.6636 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 1.4873 -0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7429 0.5191 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 -0.7363 -0.9210 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2973 -1.1995 0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -1.4425 -0.3863 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5716 -0.7935 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -1.6966 1.1943 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5793 -0.9190 1.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 -1.7779 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 -0.3532 3.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -2.7461 0.2739 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2141 -2.3776 -0.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -3.2068 -0.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4033 -2.7554 -2.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 -2.8526 -0.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 4.0813 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 3.9779 -0.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 5.4003 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 6.4966 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 6.4559 0.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 7.7375 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2049 7.8193 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6584 6.7103 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 6.8864 1.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 5.4966 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 4.3163 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1627 4.3828 0.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -3.7259 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 -3.7966 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 -4.7219 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 -1.8140 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -2.9142 0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -3.6529 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -2.1775 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -0.7047 -2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6841 -1.0368 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -1.3655 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 1.0926 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 0.6466 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0274 0.4514 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1166 1.0415 1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1760 -0.2879 2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 0.3235 2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5103 -1.0928 1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7240 -2.6149 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3806 -1.4683 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4984 -1.3097 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7293 -2.8728 -0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4819 -0.3370 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3296 -3.3261 -3.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4172 -1.8813 -4.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8829 -2.4416 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 2.5621 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 2.0669 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 -0.5892 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -1.0952 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 0.0003 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -0.1819 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -2.2086 2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2863 -2.7833 2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4916 -1.8244 1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 -1.3118 3.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 0.5285 2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 -1.1822 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 -0.0586 3.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 -3.6218 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 -3.1628 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 -4.3152 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -2.8817 -2.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -1.7337 -2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1849 -3.4598 -2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 5.7515 0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 8.5779 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 8.7622 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 6.3412 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 6 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 10 11 1 0 11 12 1 0 11 13 1 0 6 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 31 32 1 0 32 33 1 0 32 34 1 0 23 40 1 0 40 41 2 0 40 42 1 0 42 43 2 0 43 44 1 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 2 0 49 50 1 0 50 51 2 0 27 3 1 0 39 29 1 0 49 42 1 0 18 8 1 0 26 19 1 0 50 22 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 8 61 1 1 9 62 1 0 9 63 1 0 10 64 1 6 14 71 1 6 15 72 1 0 16 73 1 6 17 74 1 0 17 75 1 0 17 76 1 0 12 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 13 70 1 0 21 77 1 0 25 78 1 0 27 79 1 6 29 80 1 6 30 81 1 0 30 82 1 0 31 83 1 1 35 90 1 1 36 91 1 0 37 92 1 6 38 93 1 0 38 94 1 0 38 95 1 0 33 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 34 89 1 0 44 96 1 0 45 97 1 0 46 98 1 0 48 99 1 0 M END