B3KBA0 -OEChem-04022107292D 48 50 0 0 0 0 0 0 0999 V2000 11.2619 -2.6651 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -3.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.6651 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7619 -3.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.6651 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 3.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 3.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 1.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 1.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 2.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2249 -3.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0719 -4.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 -3.2211 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 23 1 0 0 0 0 1 29 1 0 0 0 0 2 15 2 0 0 0 0 3 24 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 44 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$