BZ4JG8 -OEChem-04022113163D 80 85 0 0 0 0 0 0 0999 V2000 -9.1594 -4.7288 -0.1839 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 0.5152 -2.4274 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.4747 2.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4216 -1.5484 -0.0563 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3285 1.4817 0.1117 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 0.7273 0.0447 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9809 3.8072 0.2824 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0414 5.2846 0.3607 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 4.4740 0.2747 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.0941 -0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 -2.1469 -0.3303 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7048 -2.2462 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6889 0.8118 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3009 -0.6455 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2636 -0.8192 1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 0.0510 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8988 -0.1295 1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8306 -3.0744 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8701 -3.1497 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1134 -3.8981 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1507 -3.9692 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0764 2.8184 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 2.9485 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 1.6264 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 4.2384 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 1.1857 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3672 5.0079 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 1.0583 -1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 0.8869 1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 0.6322 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 0.4606 1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 0.3334 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.4615 1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.6665 -2.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3124 -0.9026 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9967 -1.7875 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9183 -0.4311 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8932 -1.7293 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2870 -2.2009 1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2088 -0.8443 -0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9177 -3.0658 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8336 -1.6685 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5251 -1.5131 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4093 1.6370 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1006 0.1067 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3502 -1.1833 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2752 -1.4899 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0626 -0.0788 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1483 -0.6951 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8874 0.7455 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8205 0.4368 2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 -0.8892 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9721 -3.7528 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8742 -2.4582 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9482 -2.5851 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0143 -3.8327 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0018 -3.2559 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1539 -4.5507 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2184 -4.6732 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0401 -3.3287 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 5.8681 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2777 1.2891 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 0.9834 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 3.7150 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 5.4275 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5974 0.2565 2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -0.1900 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 1.4044 -3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 1.9872 -2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 2.4838 -3.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5403 -2.1705 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 0.2874 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -2.8911 1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6401 -0.4427 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0658 -2.6406 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3927 -4.0240 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9156 -3.2905 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -1.9644 -2.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9487 -0.5790 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8396 -2.0856 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 2 34 1 0 0 0 0 3 33 2 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 22 1 0 0 0 0 6 24 2 0 0 0 0 7 22 2 0 0 0 0 7 27 1 0 0 0 0 8 25 1 0 0 0 0 8 27 2 0 0 0 0 9 25 1 0 0 0 0 9 64 1 0 0 0 0 9 65 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 67 1 0 0 0 0 11 38 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 33 35 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 37 40 2 0 0 0 0 37 72 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 M END $$$$