BQWD28 -OEChem-04022101392D 41 44 0 1 0 0 0 0 0999 V2000 7.6651 1.8857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6207 3.3014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.7077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.0183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 1.2103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 0.4003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 3.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4626 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 0.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6188 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7314 4.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 3.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 1.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0748 2.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1229 3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 12 3 1 6 0 0 0 3 36 1 0 0 0 0 13 4 1 6 0 0 0 4 37 1 0 0 0 0 14 5 1 1 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 35 1 0 0 0 0 7 20 2 0 0 0 0 7 21 1 0 0 0 0 8 19 2 0 0 0 0 8 23 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 22 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 23 39 1 0 0 0 0 M END $$$$