RDKit 3D 113114 0 0 0 0 0 0 0 0999 V2000 2.9193 2.1484 -3.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 3.0703 -2.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 3.3969 -1.0236 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1431 4.0285 -1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 2.3333 0.0523 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4622 1.9633 0.4517 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 1.6528 0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 0.6177 1.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 2.2352 0.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8364 3.7228 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 4.4980 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 5.9976 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 4.3586 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 1.8173 1.1111 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 1.2504 1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 1.0660 2.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 0.7482 -0.2432 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2689 1.8040 -1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3894 2.6110 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1515 3.4565 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6876 1.8358 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 -0.0389 -1.0492 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -1.0471 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 -1.2900 -2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -2.1141 -0.1044 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2866 -2.3522 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 -2.7694 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6352 -2.9717 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0753 -4.1251 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -3.3594 -0.6545 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 -4.0463 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 -5.2982 -1.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 -3.6614 -0.4680 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6964 -4.7722 -0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -4.8868 -2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2421 -6.0461 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.3945 -0.9106 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -1.3905 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -0.3468 -1.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 -1.0173 0.2723 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7042 -2.2468 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7661 -1.9636 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6523 -2.1932 2.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 -1.8981 3.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -1.3635 3.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 -1.0805 4.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 -1.1331 1.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -1.4296 0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 0.0415 -0.0594 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 1.2510 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9803 1.7622 -0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 1.3152 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1772 1.7016 -3.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.6945 -3.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 4.0432 -2.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.7116 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 4.2558 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7566 3.5704 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0115 5.1049 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6813 4.0214 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 2.9013 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 0.8369 2.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 1.8272 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 4.1358 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 3.9828 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 4.2369 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 6.4768 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0818 6.0538 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3902 6.4890 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 5.3633 2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 3.8715 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 3.7601 3.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 0.3913 2.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6153 0.1047 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 2.4894 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 1.3622 -2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 3.3502 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5935 2.9721 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 4.4773 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0663 3.5455 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 1.3850 -1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6533 1.1548 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4591 2.6069 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 -2.0051 -2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 -1.8399 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -3.2272 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 -1.5478 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5319 -2.0121 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4059 -3.7017 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3915 -3.4523 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0083 -2.0040 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 -3.9742 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4761 -4.7600 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0419 -4.6851 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 -5.4235 -2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -3.7385 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -4.6447 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 -4.5009 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -5.9502 -2.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -4.2628 -2.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 -6.4910 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 -6.7675 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 -5.8744 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 0.1933 -1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -0.8610 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 -2.4825 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1185 -3.0851 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -2.6102 3.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6045 -2.0785 4.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6010 -1.7775 4.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9328 -0.7083 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 -1.2306 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 1.8785 0.0878 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 3 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 9 14 1 0 14 15 2 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 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 25 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 37 1 0 37 38 2 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 2 0 40 49 1 0 49 50 2 0 50 51 1 0 33 34 1 0 34 35 1 0 34 36 1 0 50 5 1 0 48 42 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 1 4 58 1 0 4 59 1 0 4 60 1 0 5 61 1 1 8 62 1 0 9 63 1 6 10 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 13 72 1 0 16 73 1 0 17 74 1 1 18 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 21 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 29 94 1 0 32 95 1 0 33 96 1 1 39104 1 0 40105 1 1 41106 1 0 41107 1 0 43108 1 0 44109 1 0 46110 1 0 47111 1 0 48112 1 0 51113 1 0 34 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 M END