BS9E0W -OEChem-04012116062D 48 51 0 0 0 0 0 0 0999 V2000 6.2619 -1.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -0.2714 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5708 0.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.1861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 1.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.4729 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 2.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 2.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 3.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -3.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 3.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -2.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0887 3.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0245 0.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4212 -0.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2031 -0.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2525 1.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6739 3.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7558 2.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 41 1 0 0 0 0 2 26 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 19 2 0 0 0 0 7 22 1 0 0 0 0 8 26 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 20 27 2 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 29 2 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$