B6JF7D -OEChem-04012117452D 39 39 0 1 0 0 0 0 0999 V2000 5.6412 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 1.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0081 1.2361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 0.8489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8002 0.2579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7881 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2528 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5434 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -0.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4567 -1.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 -0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3899 0.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 -1.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 -2.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 -2.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 0.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 -0.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8344 -0.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 1.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5978 1.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7021 -0.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 1 0 0 0 0 2 38 1 0 0 0 0 3 16 2 0 0 0 0 10 4 1 1 0 0 0 4 14 1 0 0 0 0 4 25 1 0 0 0 0 11 5 1 1 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 7 18 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 10 16 1 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 18 37 1 0 0 0 0 19 39 1 0 0 0 0 M END $$$$