BEC94B -OEChem-04012113032D 29 31 0 0 0 0 0 0 0999 V2000 7.1279 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.4799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.0893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 1.2807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 2.0887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 1.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5288 0.5940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8066 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0298 0.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5947 1.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 19 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 17 2 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$