BRJN90 -OEChem-04042106043D 52 54 0 1 0 0 0 0 0999 V2000 3.4407 -1.2292 0.7490 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 -0.0306 -1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8272 -0.5698 1.8864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -2.1572 -0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2643 -0.3755 -0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 1.3318 -1.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 0.2149 -0.5184 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -0.0530 -0.2728 N 0 0 1 0 0 0 0 0 0 0 0 0 2.6375 2.3965 0.1425 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 3.0273 0.4919 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9726 1.1470 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 1.1532 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -0.9555 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 2.2535 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 2.3998 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 0.9971 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 1.9518 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 0.3813 -0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -2.0390 -0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6365 2.4492 1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 1.8558 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2655 3.1522 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 1.5742 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 -0.5399 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8727 -2.1015 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 -3.0959 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 -1.9887 0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 -4.1025 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 -2.9952 1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -4.0521 0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 1.2154 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6523 1.1062 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 -0.6584 -2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 -1.3819 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 2.4953 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 3.2903 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 2.8090 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 3.3135 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4508 4.0276 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6091 1.7112 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 -1.3833 -1.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -0.8438 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 0.2550 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 -2.6026 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5426 -1.3957 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 -2.8474 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 -3.1441 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 -1.2042 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7401 -0.1168 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3139 -4.9252 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.9590 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 -4.8359 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 2 49 1 0 0 0 0 5 18 2 0 0 0 0 6 21 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 37 1 0 0 0 0 10 17 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 20 1 0 0 0 0 14 22 2 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 23 2 0 0 0 0 20 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$