L7J1MD -OEChem-05022322142D 41 43 0 0 0 0 0 0 0999 V2000 7.2125 -2.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.1624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 2.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 3.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9937 1.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6032 1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 1.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 1.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 3.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4518 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -1.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 2.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4546 3.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6051 3.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 13 2 0 0 0 0 3 14 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 2 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$