BRJI36 -OEChem-04012115413D 63 67 0 1 0 0 0 0 0999 V2000 -5.3715 5.3054 -0.7112 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6414 -0.2216 1.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 -4.6470 -0.7773 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 0.1036 -0.0557 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 -0.6607 2.0588 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1617 -0.5977 1.8103 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 0.1613 0.1623 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8891 -0.8501 -0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7783 0.1332 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -0.3285 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 1.5272 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -0.6464 2.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6939 -2.2812 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 0.4791 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 -3.2865 -1.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -0.4572 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 2.3680 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 1.9627 -1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9363 -0.1066 0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4807 0.3584 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6126 3.6444 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 3.2390 -1.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 -0.2259 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8725 4.0799 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 -5.6074 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0613 -4.9664 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -0.1428 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 0.0256 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 0.5000 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8419 -0.2847 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1921 0.6636 -1.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1276 -0.1212 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3027 0.3530 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6775 0.5276 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9728 -0.6858 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4696 -0.7618 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.7187 2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 -0.0879 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -2.5127 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1465 -2.3895 0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 0.8335 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4038 -3.0677 -1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 -3.1565 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -0.8260 2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8901 2.0748 2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8885 1.3472 -2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 0.6327 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8112 4.3010 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 3.5806 -2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5248 -5.4132 -2.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2646 -5.5736 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0826 -6.6276 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9075 -4.3304 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9032 -5.9944 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1069 -4.8751 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8019 -0.8787 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 0.7493 -1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -0.6562 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3159 1.0355 -2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9855 -0.3647 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 0.3729 -2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0430 1.5366 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3730 -0.1980 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 23 1 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 23 2 0 0 0 0 6 27 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 20 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 2 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 22 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 M END $$$$