BNB7I2 -OEChem-04022108353D 44 46 0 0 0 0 0 0 0999 V2000 3.1125 -2.7192 -0.6986 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 1.8338 -1.1972 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 -3.2713 -0.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -1.7332 0.8196 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 -0.1331 -0.3569 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8324 -0.7976 -0.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 0.5923 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 -0.0187 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3455 1.3565 -1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3809 -0.4417 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 0.3826 1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4319 -0.9914 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -1.1617 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 -0.1889 1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -1.5629 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 -2.7152 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 -3.0827 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 1.1324 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 2.0913 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 -1.0257 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 1.5054 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6661 3.2531 0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 0.4884 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4626 3.9352 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 3.2725 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4234 1.3289 0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 2.1111 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 1.8708 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 0.6881 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3325 -1.1817 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3560 0.0536 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3359 -0.9804 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 1.1399 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0321 -1.3177 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2421 0.1346 2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 -2.3074 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 -1.3794 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 -4.1588 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -2.5717 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4771 2.5232 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3646 3.6055 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 0.6854 0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 4.8639 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 3.5631 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 37 1 0 0 0 0 5 18 2 0 0 0 0 5 20 1 0 0 0 0 6 20 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$