LB0CL6 -OEChem-05022322072D 44 47 0 0 0 0 0 0 0999 V2000 7.4594 -2.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2194 0.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 1.3771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4594 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6504 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3254 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3053 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3254 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 1.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -0.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 -0.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 -0.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 -0.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 1.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0482 2.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 -0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -0.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 1.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 1.3636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 -0.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 -0.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 0.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 -0.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 -1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -2.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 -2.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 -1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3238 1.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8408 2.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4728 2.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 12 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 19 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 14 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 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$