BWK4S6 -OEChem-04012116372D 44 43 0 1 0 0 0 0 0999 V2000 1.3590 1.3590 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2013 3.3235 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 3.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 1.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 1.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 2.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 4.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 3.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 7.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 4.6023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 6.1023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 5.1023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7383 5.4211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7383 2.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9413 2.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9413 2.0634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2503 3.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4413 3.6023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3535 1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 5.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 5.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 6.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 4.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 3.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 0.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 0.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 0.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 6.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8442 6.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3062 4.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 5.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 5.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 5.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7383 4.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 2.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 2.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7383 1.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 20 1 0 0 0 0 18 2 1 6 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 17 4 1 6 0 0 0 4 32 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 8 22 2 0 0 0 0 9 24 2 0 0 0 0 10 25 2 0 0 0 0 19 11 1 1 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 22 1 0 0 0 0 12 25 1 0 0 0 0 12 34 1 0 0 0 0 13 24 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 M END $$$$