B4JKT7 -OEChem-04022100482D 41 44 0 0 0 0 0 0 0999 V2000 2.3660 3.2612 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8951 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.5291 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.4096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.3951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 -2.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 -1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8279 -3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -2.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -3.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 1.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -1.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 -1.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 -3.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 -2.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9990 -3.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 25 1 0 0 0 0 20 35 1 0 0 0 0 21 26 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$