B2K5DM -OEChem-04012113312D 45 49 0 1 0 0 0 0 0999 V2000 5.0107 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 0.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2363 0.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -0.4976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -2.0350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 1.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2017 -2.0364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3927 -1.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7017 -0.4976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0107 -1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 -2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -2.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 1.3025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4228 -3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 -4.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 3.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 3.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 3.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6675 4.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -0.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 -0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 -1.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 -1.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 1.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 -2.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 -3.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 2.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -3.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 -5.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -5.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 2.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 3.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 3.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3555 5.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 5.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 33 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 27 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 1 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 15 17 1 6 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$