B82ALP -OEChem-04012117432D 40 43 0 0 0 0 0 0 0999 V2000 4.5791 1.6357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -1.3463 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.3173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6538 1.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6538 4.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 0.9776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -3.4003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -3.0402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0278 2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 3.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 1.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1618 1.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5598 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5598 3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0278 3.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 3.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 2.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -2.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 1.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7689 1.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1707 2.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1707 3.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7689 4.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 3.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 4.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 2.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -0.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0969 -4.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3783 -3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -3.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 19 2 0 0 0 0 7 24 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 24 2 0 0 0 0 8 40 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 12 26 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$