B4CDG1 -OEChem-04012112063D 31 33 0 0 0 0 0 0 0999 V2000 -0.8689 0.2694 0.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -3.5138 -0.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 3.4969 0.2140 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2271 2.6320 0.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -0.3969 0.5203 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8929 1.5094 -0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 2.5093 0.1546 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5106 0.4215 0.0113 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2263 0.0706 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8047 -1.1955 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -0.8384 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.5116 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 1.2041 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -2.3737 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4746 -2.1065 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1942 -1.3382 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4246 1.0658 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 -1.4056 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 0.6931 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -0.2026 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 -1.0970 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 1.0015 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 0.1065 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -2.9698 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 -2.3173 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0923 1.9221 0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -2.3431 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 1.4036 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0834 -0.3065 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 -1.8156 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 1.9470 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 20 1 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 23 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 M CHG 4 3 -1 5 -1 7 1 8 1 M END $$$$