B87KNB -OEChem-04022103533D 87 95 0 1 0 0 0 0 0999 V2000 5.4510 2.3921 -0.1626 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 -3.4784 1.6499 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 -1.5650 -1.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 4.4733 0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 1.0769 -0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 3.3438 -1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -2.7378 -0.5566 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0484 0.1990 0.7121 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8319 -5.3004 -1.0792 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 2.2122 -0.1643 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 -2.1221 0.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9036 -2.6343 -0.1187 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9841 -3.4766 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4377 -1.0046 1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.1155 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -2.0855 0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 -2.8309 -1.4808 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0558 -3.5861 0.5708 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4116 -0.7107 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 0.3277 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -2.6771 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 -3.1819 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7537 -4.2423 -2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -5.0468 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5879 1.6026 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3691 1.3418 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 -2.9959 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 2.2434 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8963 2.2290 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6459 -0.3053 1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -2.5798 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 3.4978 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 2.5171 -1.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 1.6667 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -6.6215 -1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6415 -1.2321 1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 3.5131 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5518 4.1143 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2306 3.1380 -2.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3865 2.9304 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 4.3906 -1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 3.8429 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8505 3.2046 1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7951 3.2944 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 2.2331 2.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 2.7459 2.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 -2.9666 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2101 -3.5961 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -4.4064 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -1.2332 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 -0.7966 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 -2.0570 -2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 -3.4175 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2952 -1.6187 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -3.2183 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 -3.9996 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -2.3562 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 -4.3382 -2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -4.3591 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -5.7193 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -5.2953 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -4.0579 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7198 1.5268 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 0.7283 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 4.2572 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2921 3.2554 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 1.5865 -2.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0954 3.1935 -2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 0.9528 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 -7.4000 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 -6.8270 -2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 -6.7198 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5784 -0.9015 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 4.2480 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 3.4347 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7296 5.0466 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 2.4032 -2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1829 3.3877 -3.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8316 5.1760 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5453 4.7711 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 4.8239 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5216 4.2197 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 1.1945 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 2.6025 3.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.0556 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 3.4565 2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 1.2585 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 43 1 0 0 0 0 2 31 1 0 0 0 0 3 15 2 0 0 0 0 4 44 2 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 26 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 35 1 0 0 0 0 10 44 1 0 0 0 0 10 87 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 16 19 2 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 52 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 25 2 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 28 2 0 0 0 0 26 34 1 0 0 0 0 27 31 2 0 0 0 0 27 62 1 0 0 0 0 28 37 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 30 36 2 0 0 0 0 30 64 1 0 0 0 0 31 36 1 0 0 0 0 32 38 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 39 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 40 2 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 37 42 2 0 0 0 0 37 74 1 0 0 0 0 38 41 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 41 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 43 82 1 0 0 0 0 45 46 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END $$$$