D00HET -OEChem-10101305032D 43 46 0 0 0 0 0 0 0999 V2000 9.9939 -1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 1.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 2.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3739 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6139 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1839 -3.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1839 -0.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 -3.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 -0.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 28 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 29 1 0 0 0 0 11 15 2 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$