BW4I1B -OEChem-04012120142D 42 44 0 1 0 0 0 0 0999 V2000 7.6682 -2.7521 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 -0.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4813 -0.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 -1.1551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7493 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6095 -1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 -2.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 2.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -3.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 -3.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3414 -1.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3371 -1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1533 -0.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3563 -0.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2055 -1.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0025 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4629 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 0.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4884 -0.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 3.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 2.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 -4.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7068 -4.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0253 -1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 -1.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6576 -0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 6 2 1 1 0 0 0 2 10 1 0 0 0 0 3 17 1 0 0 0 0 3 41 1 0 0 0 0 4 20 1 0 0 0 0 4 42 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 21 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$