BD31QM -OEChem-04022113403D 70 75 0 0 0 0 0 0 0999 V2000 4.1646 0.5083 -1.8343 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9707 2.4257 -0.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9118 -2.3568 0.3022 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4996 1.9253 -0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4011 0.1807 0.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7718 -2.2284 -0.5198 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 1.4770 2.5151 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1464 0.7762 -0.7997 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -0.2049 -0.1189 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 1.0941 2.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 0.2255 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9998 -1.1022 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0867 -0.9603 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3533 -2.2678 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.3316 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1027 -3.3633 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 1.2526 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 0.9040 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8465 0.8414 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8985 0.4649 -0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 1.5255 1.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6655 1.1387 1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 0.2887 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 0.2565 -1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2876 0.1197 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0567 0.2782 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -0.9594 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9032 -0.8276 0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3856 1.3672 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2832 -0.0506 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4929 -0.7160 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 -1.1290 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 1.1975 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 0.7569 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6173 0.2900 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1046 1.8397 -1.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8924 -1.6463 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5812 -0.5329 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2266 -1.4868 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 -2.6337 1.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 0.2113 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9714 1.1625 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -1.1286 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5348 -1.1966 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5130 -0.8651 -2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1509 -0.9286 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1329 -3.2048 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 -2.2311 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9075 -4.3086 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1694 -3.3573 -1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -3.3571 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7268 1.8039 2.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -0.0333 -2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 -1.8061 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 2.3469 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 -1.3032 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3563 2.0836 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 -1.1442 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 0.8527 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3097 1.3171 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9112 1.0299 -1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9652 2.7874 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2834 1.6489 -2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 1.8688 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6299 -2.3938 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6237 -0.4256 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9940 -2.1150 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -3.6334 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -1.9117 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 -2.6174 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 15 2 0 0 0 0 3 32 1 0 0 0 0 3 40 1 0 0 0 0 4 34 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 21 1 0 0 0 0 7 22 2 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 36 1 0 0 0 0 9 30 1 0 0 0 0 9 34 1 0 0 0 0 9 58 1 0 0 0 0 10 22 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 52 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 53 1 0 0 0 0 25 28 1 0 0 0 0 25 35 2 0 0 0 0 26 31 2 0 0 0 0 26 34 1 0 0 0 0 27 32 1 0 0 0 0 27 54 1 0 0 0 0 28 31 1 0 0 0 0 28 37 2 0 0 0 0 29 33 2 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 56 1 0 0 0 0 33 57 1 0 0 0 0 35 38 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 65 1 0 0 0 0 38 39 2 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 M END $$$$