L5YDF3 -OEChem-05022323052D 44 47 0 0 0 0 0 0 0999 V2000 10.7648 2.1433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 0.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7429 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3931 -0.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7116 -1.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1866 -1.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4019 -1.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8768 -1.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9951 2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1726 0.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8541 1.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3023 1.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 17 2 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$