D0I3XA -OEChem-10111523252D 38 40 0 0 0 0 0 0 0999 V2000 4.2647 4.0864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 -0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -4.0014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 -4.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 4.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 4.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 4.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 3.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -3.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -4.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 -4.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1044 3.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 4.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 5.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 5.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 -2.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8753 -1.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 0.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 0.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -1.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 -2.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -1.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7973 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -5.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 3 36 1 0 0 0 0 4 19 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$