B4YD0Z -OEChem-04012120042D 42 45 0 0 0 0 0 0 0999 V2000 2.6678 -2.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 -0.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.0528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 2.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5533 1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 -0.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 -2.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 -2.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 1.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6488 2.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 1.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 1.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 0.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -0.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 0.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 39 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 16 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$