B16QRO -OEChem-04022106332D 54 58 0 0 0 0 0 0 0999 V2000 4.8511 0.1214 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.3085 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5262 -1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 4.6221 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2103 5.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -1.9664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 1.0725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7981 4.5176 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7942 -2.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6303 -4.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -4.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 -4.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6303 -3.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -3.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 -3.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -4.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -5.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 -4.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 1.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 3.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 3.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 5.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -4.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -4.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -5.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2409 -3.5568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -2.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 -2.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 -3.5568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -3.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -3.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 -5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -5.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5339 -5.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -4.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -5.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2572 -1.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0588 -0.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 2.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3257 1.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 2.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 5.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 5.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 4.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 29 1 0 0 0 0 2 31 1 0 0 0 0 3 21 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 47 1 0 0 0 0 9 23 1 0 0 0 0 9 24 2 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$