BL71QE -OEChem-04022106382D 49 51 0 0 0 0 0 0 0999 V2000 6.2569 -1.4571 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 3.1307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 -4.0262 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9627 -2.6294 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3446 -3.8049 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -4.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0659 3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 1.6307 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3338 3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8749 -1.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 2.1307 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9945 -2.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1998 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1998 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -3.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 -1.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 -3.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -4.4356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1784 -2.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 -1.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -4.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -4.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -2.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6629 0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 1.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6859 4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 4.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4459 4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 26 1 0 0 0 0 2 31 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 6 20 2 0 0 0 0 9 13 1 0 0 0 0 10 13 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 24 29 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 2 9 -1 13 1 M END $$$$