B2SB6E -OEChem-04022114333D 52 54 0 1 0 0 0 0 0999 V2000 0.4167 -0.9052 0.7646 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 -0.6309 0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 2.9041 -0.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 1.7863 0.1789 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -0.5328 1.5458 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -3.4357 -0.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0871 0.3283 1.7795 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6902 2.0636 0.4948 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 0.2753 -1.1528 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.7765 -0.4411 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4103 0.9082 0.8963 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5375 0.7070 0.0770 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7405 1.6187 0.3605 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0130 1.0228 -0.2463 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1915 -0.4441 0.1519 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9134 -1.2317 -0.1574 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2794 1.1775 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9975 -2.6812 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 0.5887 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2315 1.0641 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8553 -0.7890 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 2.3220 -1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 -1.7954 -1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0982 -1.0843 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 -1.7089 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 0.2007 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9628 -1.0487 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5259 0.8610 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2931 0.2362 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 0.6919 -1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 1.7664 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 1.1052 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -0.8708 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 -1.2088 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1929 2.2697 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 0.9202 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8038 -2.7759 1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -3.1117 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 2.7829 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 1.3828 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6965 -0.2905 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -4.3551 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 3.1858 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 2.4176 -2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 2.3577 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7266 -2.5607 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 -1.3649 -2.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1882 -2.8377 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6171 -2.7098 0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8383 0.6991 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5375 -1.5661 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7532 1.8613 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 39 1 0 0 0 0 4 14 1 0 0 0 0 4 40 1 0 0 0 0 5 15 1 0 0 0 0 5 41 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 20 1 0 0 0 0 9 21 2 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 10 46 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$