RDKit 3D 130139 0 0 0 0 0 0 0 0999 V2000 4.0506 2.0624 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.1923 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.4727 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -0.7966 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -1.4159 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -0.7806 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -1.4344 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 0.5075 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1602 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 2.4375 -1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 3.0665 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 4.4431 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 2.4134 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 1.1402 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.1180 -2.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1409 3.8096 -1.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 3.1788 -1.8648 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5213 4.0876 -1.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7776 4.9082 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6786 6.2399 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.4258 -2.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0911 3.8233 -3.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 2.7666 -3.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 2.0578 -3.0182 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5028 1.0037 -2.0689 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0786 0.0302 -2.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -1.0127 -2.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0561 -1.3388 -2.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 -2.7080 -3.5115 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3859 -2.9830 -3.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -3.7897 -2.5505 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6556 -4.2612 -1.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 -4.9166 -3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -6.2858 -3.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -4.7235 -4.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -3.2426 -1.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0420 -2.9404 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -2.2055 -2.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5131 0.4298 -1.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 1.8499 -1.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7433 1.3587 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 1.6935 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 2.4265 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6896 3.6421 1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 3.9723 2.5465 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 2.9909 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 2.8393 3.3906 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 1.7276 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5926 1.5313 4.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0287 0.7586 2.4579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 0.8830 1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 -0.0213 0.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 2.0258 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -2.7639 1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -3.6041 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -3.1155 2.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1543 -4.4855 2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -2.3063 3.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 -1.6116 1.9591 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7776 -0.9391 2.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -1.5066 1.7873 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8298 -0.6434 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 -0.0338 1.8740 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3282 0.7206 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 0.8445 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -1.1768 2.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7188 -1.4362 1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -1.2187 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -1.4737 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -0.7890 2.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9138 -2.3890 2.6444 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1133 -3.4948 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -2.0416 2.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 2.3033 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 1.6489 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.9751 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.3331 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 4.4559 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 5.0071 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 4.9564 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 2.9186 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 3.7390 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 4.7972 -2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 6.8110 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 6.5439 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 6.5252 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 4.8802 -3.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9587 3.1694 -3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 3.5390 -4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 1.6423 -3.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 -0.9228 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 -1.2481 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -0.5803 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -2.7656 -4.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 -3.9549 -4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -4.8337 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -7.0453 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9261 -6.5329 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -6.3524 -3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -4.0377 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.2469 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -2.4704 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 -3.8589 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 1.4427 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 1.8954 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 0.5980 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8093 4.2584 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5368 1.3254 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5603 1.5767 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5899 -0.1215 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -2.9342 3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 -4.6910 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.0139 3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 -1.5963 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -2.5079 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.4204 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 0.1014 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2784 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 1.7539 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 0.2176 3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 0.7167 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 0.4218 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3108 -0.8059 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0884 -1.0938 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 -2.5544 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -0.8821 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 -2.7834 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 -3.6258 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -3.3713 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -4.5108 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 10 15 1 0 15 16 1 0 17 16 1 1 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 1 31 33 1 0 33 34 1 0 33 35 2 0 31 36 1 0 36 37 1 0 36 38 1 0 25 39 1 0 25 40 1 0 40 41 1 1 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 5 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 1 6 63 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 68 70 2 0 66 71 1 0 71 72 1 0 71 73 1 0 14 3 1 0 24 15 1 0 38 27 1 0 53 43 1 0 73 61 1 0 59 4 1 0 14 8 1 0 40 17 1 0 53 46 2 0 39 9 1 0 1 74 1 0 1 75 1 0 1 76 1 0 7 77 1 0 12 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 15 82 1 6 18 83 1 6 20 84 1 0 20 85 1 0 20 86 1 0 22 87 1 0 22 88 1 0 22 89 1 0 24 90 1 6 27 91 1 1 28 92 1 0 28 93 1 0 29 94 1 6 30 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 36100 1 1 37101 1 0 37102 1 0 37103 1 0 41104 1 0 42105 1 0 42106 1 0 44107 1 0 49108 1 0 49109 1 0 50110 1 0 56111 1 1 57112 1 0 58113 1 0 58114 1 0 59115 1 6 61116 1 6 62117 1 0 62118 1 0 64119 1 0 64120 1 0 64121 1 0 65122 1 0 66123 1 1 69124 1 0 69125 1 0 69126 1 0 71127 1 1 72128 1 0 72129 1 0 72130 1 0 M END