B3INY4 -OEChem-04022109322D 44 47 0 1 0 0 0 0 0999 V2000 5.2690 -0.4221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -1.2881 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 4.7741 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 3.4081 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 4.4081 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -2.1541 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -3.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0016 -3.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 3.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 -1.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 -4.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -3.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -2.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 4.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 2.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 1.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 21 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 22 2 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 39 1 0 0 0 0 10 22 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 6 0 0 0 12 13 1 0 0 0 0 12 29 1 6 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 1 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 23 1 0 0 0 0 19 25 2 0 0 0 0 20 38 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$