B4J3SM -OEChem-04012112183D 28 30 0 0 0 0 0 0 0999 V2000 1.1319 -2.3019 0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 2.3020 -0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6308 1.0202 0.4104 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6306 -1.0201 -0.4111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 0.0000 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 0.0000 0.0001 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7956 -0.6841 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 0.6841 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -1.1336 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 1.1336 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 0.0000 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 -1.4071 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 1.4071 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5154 1.1208 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 -1.1208 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -0.6977 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 0.6977 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 1.1207 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 -1.1207 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6079 0.0000 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9683 -2.4806 0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 2.4806 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 1.9993 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 -1.9993 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 -1.2272 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 1.2271 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 2.0092 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -2.0092 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$