B3PFX6 -OEChem-04022108552D 38 40 0 0 0 0 0 0 0999 V2000 12.2619 -1.0630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.6690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.4737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.1357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2619 -1.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 0.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 0.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -2.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 0.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -2.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5719 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5719 -0.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 21 2 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$