BX9D1I -OEChem-04012115122D 39 43 0 0 0 0 0 0 0999 V2000 5.4641 -3.6140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5386 -0.5514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.6140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5403 0.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.4188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9528 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6455 3.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9973 2.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6677 3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0396 -0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5591 2.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 1.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 3.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4771 4.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 30 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 15 2 0 0 0 0 7 13 2 0 0 0 0 8 24 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 24 1 0 0 0 0 18 31 1 0 0 0 0 19 25 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 26 2 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$