BA2DJ6 -OEChem-04022103133D 41 43 0 0 0 0 0 0 0999 V2000 -4.2958 0.6914 -2.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5547 0.9878 0.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 1.1992 -0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2146 -1.8649 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 0.2647 0.2074 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 -0.8972 0.1198 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.4479 0.1069 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 1.4598 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 -0.5506 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -0.0266 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 -0.5584 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 1.7674 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 -1.8756 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -0.1586 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 0.8377 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6303 -3.0368 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 0.0773 -0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2005 -0.0112 1.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 0.4621 -0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2475 0.6102 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 0.3736 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9723 -0.4195 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1253 1.1162 1.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 2.0181 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 1.7428 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 2.8024 -0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 1.6344 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -2.7929 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 -3.0541 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 -2.9871 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 -3.9338 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 -0.0354 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.1927 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 -1.1593 0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 0.4690 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7291 -0.8145 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 -1.2059 -2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4704 -0.0764 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 0.1579 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1682 1.4217 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6351 1.9059 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 15 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$