B56PCA -OEChem-04012116432D 42 44 0 1 0 0 0 0 0999 V2000 7.7524 2.1514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 3.1514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 2.1514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7035 1.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -4.3874 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6543 -2.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 1.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -3.3874 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7524 1.1514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0614 0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 2.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3714 -0.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6278 0.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1642 1.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 1.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 1.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 -1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6554 -1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6554 -3.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -4.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 4.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 4.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 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 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$