B8TK9P -OEChem-04012114172D 43 47 0 0 0 0 0 0 0999 V2000 9.3560 1.1396 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 2.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 0.5509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3701 2.0279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0121 1.2941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0765 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6954 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6897 -0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3872 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7444 -0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7229 0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0335 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 -0.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9988 -0.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9731 2.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5518 -0.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5583 2.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1369 -0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4261 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2047 1.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 13 2 0 0 0 0 4 18 1 0 0 0 0 5 18 2 0 0 0 0 6 27 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$