D01PES -OEChem-10101305022D 31 33 0 0 0 0 0 0 0999 V2000 4.6783 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 0.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 M END $$$$