B4K5EC -OEChem-04012118262D 43 46 0 0 0 0 0 0 0999 V2000 3.7899 1.0826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 0.8734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 0.0177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -1.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -2.2152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1270 -2.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9949 -1.6428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 1.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3922 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -1.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -1.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 1.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4773 2.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 3.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 2.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 2.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 1.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 -1.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -2.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 0.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -1.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -2.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7986 -0.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1246 -2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 -1.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9973 -1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 23 2 0 0 0 0 5 16 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 20 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$