B3CU2L -OEChem-04012118252D 41 44 0 0 0 0 0 0 0999 V2000 10.1270 1.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -1.4861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 -1.2769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -0.4212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 1.2737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.8117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 -2.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9949 1.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8590 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 2.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 2.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 -0.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7986 -0.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -2.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -2.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9536 -2.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 2.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 1.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5982 0.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3953 0.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1711 1.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3947 2.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5469 2.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 7 2 0 0 0 0 4 12 2 0 0 0 0 4 22 1 0 0 0 0 5 16 1 0 0 0 0 5 22 2 0 0 0 0 6 16 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$