BAT97J -OEChem-04022105002D 41 42 0 0 0 0 0 0 0999 V2000 5.8144 4.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 5.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 2.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 4.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 4.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3967 4.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 2.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 3.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5730 5.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8449 5.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 4.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0133 4.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4615 5.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 20 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 10 2 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$