B1DE8J -OEChem-04022106033D 50 53 0 0 0 0 0 0 0999 V2000 4.7309 4.5735 -1.8165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 -1.7581 -0.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.6034 -2.7184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 -4.0064 -0.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3017 -3.2691 0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -3.0164 1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7017 0.6753 0.8696 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 0.8485 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1315 2.1285 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5584 2.5479 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 2.4719 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 1.0329 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 0.3603 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 0.1941 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -0.9809 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -0.8114 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8641 -1.4760 -1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -1.6405 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 0.0126 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6255 -1.1411 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.6091 1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3412 -2.8639 -1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 1.6098 0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 2.9451 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 1.1651 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 3.8664 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1916 2.0864 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 -2.7215 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 3.4370 -0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 -4.2757 1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6521 2.9275 0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 2.0184 2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9598 1.8943 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 3.5672 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4526 2.8372 0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 3.1211 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 1.0290 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1461 0.4441 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 -1.2124 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -2.3812 -1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 1.1111 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.1603 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 3.2887 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 0.1187 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 -3.4261 -3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 4.9156 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 1.7378 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -4.6282 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -3.8557 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 -5.1205 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 20 1 0 0 0 0 2 28 1 0 0 0 0 3 22 1 0 0 0 0 3 45 1 0 0 0 0 4 22 2 0 0 0 0 5 28 1 0 0 0 0 5 30 1 0 0 0 0 6 28 2 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 29 2 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$