RDKit 3D 143145 0 0 0 0 0 0 0 0999 V2000 -5.7546 8.4536 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2026 7.9714 0.0429 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1159 6.6764 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8208 5.9393 -0.9028 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3417 6.0452 1.0963 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7739 4.7326 0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 4.8509 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 3.5949 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 2.8802 0.4909 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1357 2.3756 1.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 1.5012 1.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 1.7190 1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 0.2377 0.5175 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3334 -0.5890 0.7718 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 -0.6396 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4678 0.0795 -1.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5960 -1.5463 0.2465 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0904 -2.9593 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1091 -3.9968 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5493 -3.7487 -0.8555 S 0 0 0 0 0 4 0 0 0 0 0 0 -7.8682 -3.9175 -2.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3466 -5.0542 -0.6771 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7364 -1.1989 -0.5612 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9782 -1.0064 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0452 -1.1478 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1949 -0.6464 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3660 -0.5600 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6118 -1.8899 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 -0.5105 0.8143 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2598 -1.6292 1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -0.9530 -0.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 -0.9281 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 -0.1922 -1.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -1.8395 -0.4036 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3376 -3.2254 -0.3794 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3326 -4.2120 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -3.6521 -1.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -1.4000 0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 -1.5340 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 -1.9229 2.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 -1.2706 0.8313 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5273 -2.5615 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -2.6414 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.1111 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 -3.1565 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 -2.7386 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 -2.7772 -2.4351 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 -3.2481 -1.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 -2.2639 -2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1928 -1.6650 -4.2061 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -2.2267 -1.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9094 -0.5856 1.7822 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5456 -1.5110 2.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1551 0.7939 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 1.0932 3.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 1.8776 1.0578 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9571 1.7977 0.4585 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0124 1.8111 1.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3587 0.6688 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8245 0.8503 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 2.5758 0.2728 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 3.4923 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 4.6872 0.9537 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 2.8569 0.4703 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1894 2.2158 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 2.7905 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6388 2.2367 -1.1989 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6845 2.8579 -1.8262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 3.8378 0.6437 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 3.7337 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 4.4208 2.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4835 5.8565 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7166 5.4651 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 6.5199 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 4.3255 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 4.0528 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 5.1833 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 5.7062 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 3.7220 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 2.8885 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 1.9980 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9128 2.7076 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2068 0.5876 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3743 -1.1798 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 -1.5283 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7849 -3.0116 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 -3.1028 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4437 -3.8977 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6764 -5.0130 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0506 -4.6734 -2.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6647 -4.3625 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5938 -2.9689 -2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6276 -1.0927 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4282 -1.4193 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0403 0.3077 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2629 -0.2158 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1031 0.2102 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7272 -1.9482 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3255 -2.7243 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1353 -1.9356 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2704 0.1811 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -1.1662 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 -2.0504 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -2.4081 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -1.8866 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -3.2684 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -4.5239 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8415 -5.1583 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9918 -3.8097 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 -2.7383 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 -4.4387 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9682 -3.9635 -2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 -0.8679 1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -0.5870 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -3.4148 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 -2.8563 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 -3.4630 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0394 -3.5256 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -3.2796 -2.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9216 -2.5674 -0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4627 -4.2746 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 -1.8392 -2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -2.5046 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 -1.4695 2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -1.1310 3.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 2.6811 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 2.7527 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9646 2.1792 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0093 0.8763 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6104 2.6041 2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 -0.3146 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8126 0.5047 -1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9798 1.8034 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9783 0.0535 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5247 0.6378 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2018 2.0661 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 2.2562 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 1.1373 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 3.8878 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1743 2.5848 -2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 1.1969 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6521 3.8223 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 4.8266 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 28 27 1 0 27 26 1 0 26 24 1 0 24 25 2 0 24 23 1 0 23 17 1 0 17 18 1 0 18 19 1 0 20 19 1 1 20 21 1 0 20 22 2 0 17 15 1 0 15 16 2 0 15 14 1 0 14 13 1 0 13 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 46 49 1 0 49 50 1 0 49 51 2 0 41 52 1 0 52 53 1 0 52 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 56 61 1 0 61 67 1 0 67 68 1 0 67 66 1 0 66 65 1 0 65 64 1 0 64 69 1 0 69 70 1 0 70 71 2 0 70 9 1 0 9 8 1 0 8 7 1 0 7 6 1 0 6 5 1 0 5 3 1 0 3 4 1 0 3 2 2 0 9 10 1 0 10 11 1 0 11 12 2 0 64 62 1 0 62 63 2 0 34 35 1 0 35 36 1 0 35 37 1 0 11 13 1 0 51 43 1 0 62 61 1 0 28 98 1 0 28 99 1 0 28100 1 0 27 96 1 0 27 97 1 0 26 94 1 0 26 95 1 0 23 93 1 0 17 85 1 1 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 21 90 1 0 21 91 1 0 21 92 1 0 14 84 1 0 13 83 1 6 29101 1 1 30102 1 0 30103 1 0 30104 1 0 34105 1 6 38113 1 0 41114 1 6 42115 1 0 42116 1 0 44117 1 0 45118 1 0 48119 1 0 48120 1 0 48121 1 0 51122 1 0 53123 1 0 53124 1 0 53125 1 0 56126 1 1 57127 1 6 58128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 60135 1 0 67141 1 1 68142 1 0 66139 1 0 66140 1 0 65137 1 0 65138 1 0 64136 1 1 69143 1 0 9 81 1 6 8 79 1 0 8 80 1 0 7 77 1 0 7 78 1 0 6 75 1 0 6 76 1 0 5 74 1 0 4 72 1 0 4 73 1 0 2 1 1 0 10 82 1 0 35106 1 1 36107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 37112 1 0 M END