BKA89I -OEChem-04012117082D 43 46 0 0 0 0 0 0 0999 V2000 6.3740 -1.6016 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 1.4572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -0.5978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6224 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6224 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7213 -1.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0398 -2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5147 -3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7301 -3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5254 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3696 2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -1.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -2.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 0.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 1.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 19 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 40 1 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 22 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$