BG5N4M -OEChem-04012120362D 41 41 0 1 0 0 0 0 0999 V2000 3.7320 -0.3413 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1587 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.2320 -1.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 -2.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1587 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 3.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6064 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 -3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 -4.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4614 -3.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 -0.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 -3.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0736 -4.7573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8338 -4.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2998 -4.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 -3.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 -2.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 -2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -3.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 5 13 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 6 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$