BXDH42 -OEChem-04012113523D 30 30 0 1 0 0 0 0 0999 V2000 3.2640 0.1740 -0.0319 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 1.3781 0.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 0.2314 -0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 0.3336 0.6731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -2.2300 -1.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 0.5823 -1.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -1.4294 -0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 0.9213 0.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 -2.9904 0.7478 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -0.0300 0.9444 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8698 1.5242 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 -0.6668 0.4718 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7071 -0.3369 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3934 2.3200 -1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 2.2395 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 -2.0208 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3231 -0.2713 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 -0.7090 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 0.0007 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 -1.4097 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 1.7998 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1986 2.4522 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 3.3025 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 2.3415 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 1.6753 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 3.2312 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 -3.9514 0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -2.7886 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 0.6338 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 -1.7885 -0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 5 16 2 0 0 0 0 6 29 1 0 0 0 0 7 30 1 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 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$