B7SHP9 -OEChem-04012117262D 54 57 0 1 0 0 0 0 0999 V2000 10.6603 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8044 1.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1616 0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -0.2152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7882 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5152 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4937 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 0.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 -2.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7419 -2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4946 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9014 0.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4111 2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 17 2 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 28 2 0 0 0 0 5 30 1 0 0 0 0 6 29 1 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 6 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$