L3KBQ7 -OEChem-05022322033D 27 29 0 0 0 0 0 0 0999 V2000 -0.9699 -3.2451 0.0224 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 2.2999 -0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 1.0684 -1.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 -0.8047 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 0.2514 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 -0.7942 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3243 -2.1078 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -0.0411 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 0.3887 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6682 -2.3969 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 -1.3571 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 -2.0389 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 1.5879 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 1.0027 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 2.6092 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 2.3175 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 1.2601 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 0.9737 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3315 0.0425 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.4146 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -2.3028 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 -1.5966 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 1.9167 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 0.8012 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 3.6342 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 3.1142 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 2.8611 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 27 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 22 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$