LJ5L6R -OEChem-05022321292D 42 45 0 0 0 0 0 0 0999 V2000 6.6474 2.7411 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 -0.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -0.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.8282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 1.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5533 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 2.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -2.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -3.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 -2.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -2.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -3.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 -2.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 1.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 1.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 0.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 2.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 3.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -0.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 0.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 0.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 23 2 0 0 0 0 6 24 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 14 19 2 0 0 0 0 14 26 1 0 0 0 0 15 20 2 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$