BK0RJ1 -OEChem-04022112523D 54 57 0 1 0 0 0 0 0999 V2000 4.9959 1.3701 0.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 2.1645 1.2603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 1.6902 -0.3293 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -0.9153 -0.2131 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 0.0638 2.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 1.6331 0.6131 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8937 1.6893 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0367 2.5059 0.2451 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0918 1.9475 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 3.0078 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.3057 0.8454 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3714 0.3149 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1387 -1.0741 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -2.1983 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -2.5751 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 -3.1484 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 1.5883 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 0.6873 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7979 -0.4303 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5279 0.9988 -1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6978 -1.2436 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4129 0.1990 -2.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -0.7588 1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 -0.9152 -1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 -2.3613 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 -1.8730 2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9678 -2.6727 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 2.4540 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 0.6897 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 2.1822 2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 3.3521 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7462 1.0643 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 2.3243 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 3.9666 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 3.1491 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 -0.4817 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 1.1267 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9087 -0.5104 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0574 -0.6823 -1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 -2.1461 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 -2.5002 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -0.8540 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 0.0401 2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -2.8796 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 -2.8977 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 -3.1021 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 -4.1864 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 1.8661 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6523 0.4426 -3.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 -0.1772 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6841 -1.5259 -2.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9685 -3.0006 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -2.1186 3.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4198 -3.5406 1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$