B2YIT4 -OEChem-04022113523D 57 60 0 1 0 0 0 0 0999 V2000 -5.0888 1.3874 -0.0076 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 3.4959 -0.3871 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 2.6646 1.5922 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 -0.7067 2.7649 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9885 -3.8413 -0.8088 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 1.5253 -0.9787 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 -0.2974 -2.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3405 0.4265 -0.8626 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 1.0434 0.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 2.7822 -0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -4.1090 -0.7144 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 1.0566 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 0.1274 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5518 1.8504 -1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 2.4957 -1.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8839 2.1337 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 2.1014 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 -0.5306 -1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -1.9306 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6094 0.1013 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -2.6709 -0.6836 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1916 -2.3624 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 2.4010 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5134 -0.9537 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -0.9239 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 -1.1154 1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 -1.7676 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 -0.1662 1.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 -0.3524 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 -2.0908 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8908 -2.7432 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 -2.9048 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8699 0.9767 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 1.1630 1.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 1.7343 1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 0.2634 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 -0.9026 -0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 1.9542 -1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 2.3671 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 2.1191 -2.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 3.5820 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -2.4302 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 -1.9445 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1143 0.6723 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 -0.3864 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 -2.4633 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -2.6644 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 -2.9822 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -4.6396 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 -4.3491 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1789 -0.4890 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 -1.6669 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 -0.9319 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6527 -2.2169 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5342 -3.3772 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 1.7529 2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 2.7693 1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 28 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 18 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 21 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 34 1 0 0 0 0 29 33 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$