B3JUX6 -OEChem-04022102043D 41 44 0 0 0 0 0 0 0999 V2000 -3.8917 -3.1609 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 0.2033 -0.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1811 3.8227 0.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -0.7593 -0.2808 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 1.5639 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 -2.9885 1.8767 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9513 -0.8110 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 -2.0369 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 -1.9163 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4984 -3.0886 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 0.4083 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 1.3339 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7222 1.1541 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 2.5959 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -0.1595 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 2.7133 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5566 2.2633 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 3.7091 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 3.5380 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -0.9373 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 -0.6463 -1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 -2.2019 0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -1.9108 -1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 -2.6887 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 -1.0219 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4439 0.1357 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 -2.3301 -1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 -2.0119 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -1.6825 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 -2.0388 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 -4.0737 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 -2.8701 1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 2.1554 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2149 4.7088 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 4.3999 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 -0.5613 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -0.0533 -2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 -2.2899 -2.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 -3.6725 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -3.9059 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -2.6371 2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 5 16 1 0 0 0 0 6 22 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$