B82ALP -OEChem-04022106303D 40 43 0 0 0 0 0 0 0999 V2000 1.3777 -2.4044 1.0713 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 1.7663 -0.2449 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 2.4259 0.3351 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 1.9112 -0.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1963 -0.2655 -0.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -0.3555 0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8871 -1.3606 -0.7698 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1109 0.9443 -0.7998 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 -0.9828 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 0.5971 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8557 -0.4573 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 0.3339 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 -1.2567 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 2.0827 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 1.0505 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -2.0340 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 -1.7726 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 -0.1225 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 -0.8552 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -2.4245 0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8997 -0.7598 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7592 1.2509 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 0.1504 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 -0.0925 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 2.6308 2.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9379 1.1646 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5457 2.0071 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9899 3.0926 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6795 1.0982 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6134 1.2129 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 -3.0701 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 -2.5972 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 -3.2687 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 -1.8310 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8266 3.3441 2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 3.0148 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 1.6772 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -2.2121 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8768 -1.4605 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 0.5845 -0.9903 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 $$$$