B4LN3G -OEChem-04042105203D 40 42 0 1 0 0 0 0 0999 V2000 -1.6840 -0.6870 -0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 0.6453 2.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 2.9122 -1.1925 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6842 0.2605 0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 1.3527 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 0.6624 -0.7586 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9911 -1.5024 -2.4626 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 -0.9548 0.0624 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7712 -0.6205 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 0.8859 0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4788 1.3778 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 0.2775 -0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6249 1.5857 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -1.2610 -1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 0.7372 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 -0.5303 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 0.9004 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -0.5304 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 1.8597 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2696 -1.7378 0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 1.8670 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -1.7004 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -2.9090 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -2.8905 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -1.7935 0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6255 -0.8285 1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6526 -1.1753 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3531 1.0954 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5491 1.3554 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 1.5764 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 2.2756 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7534 1.8744 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 2.3665 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 1.5017 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 2.8161 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 -1.7917 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 0.6300 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -1.6938 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 -3.8377 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -3.8025 0.1506 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 21 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 6 37 1 0 0 0 0 7 14 3 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$