D04ISG -OEChem-10101305022D 31 33 0 0 0 0 0 0 0999 V2000 5.4641 -1.2673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 0.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 18 2 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M END $$$$