D0B5FZ -OEChem-10101305032D 52 56 0 1 0 0 0 0 0999 V2000 7.6138 1.3694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1948 -3.3737 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0563 -2.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -1.8141 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6318 -0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7733 -1.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1251 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.3255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6761 -0.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.9880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2928 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 3.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6730 -0.0831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7690 -1.8610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4153 -2.7474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9664 -3.1808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.4188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6777 -0.2515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0043 -1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2223 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7702 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0314 -2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5758 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6356 0.8845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9461 -0.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 2.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 1.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9555 0.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 2.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 4.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 1.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8551 2.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0223 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0657 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4467 -2.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 34 1 0 0 0 0 3 19 2 0 0 0 0 4 24 1 0 0 0 0 5 24 2 0 0 0 0 6 25 2 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 18 9 1 6 0 0 0 9 25 1 0 0 0 0 9 40 1 0 0 0 0 10 23 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 26 2 0 0 0 0 11 28 1 0 0 0 0 12 33 2 0 0 0 0 13 29 2 0 0 0 0 14 32 1 0 0 0 0 14 34 2 0 0 0 0 15 32 2 0 0 0 0 16 34 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 1 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 30 45 1 0 0 0 0 31 33 1 0 0 0 0 31 46 1 0 0 0 0 33 47 1 0 0 0 0 35 48 1 0 0 0 0 35 49 1 0 0 0 0 35 50 1 0 0 0 0 M CHG 2 4 -1 11 1 M END $$$$