B8P5HB -OEChem-04012120362D 41 42 0 1 0 0 0 0 0999 V2000 7.1962 -0.6956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8044 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.6962 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7761 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 2.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2210 -2.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1956 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0705 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0705 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7761 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5153 -1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 -3.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9602 -3.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9937 -3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2214 -0.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3753 -0.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -1.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 -3.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 -3.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 -4.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 5 15 2 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 9 23 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 21 1 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$