B3SUM9 -OEChem-04012118552D 50 52 0 1 0 0 0 0 0999 V2000 4.3763 3.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 4.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 1.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7275 4.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 1.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 2.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3755 2.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 2.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 4.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 3.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8395 1.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 0.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5649 3.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 4.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9038 5.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1757 5.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 5.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 5.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 1.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 24 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 42 1 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 M END $$$$