B5TIV1 -OEChem-04012120362D 41 42 0 1 0 0 0 0 0999 V2000 6.3301 -0.6956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8044 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.8301 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2044 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6493 -1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6828 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 -3.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -3.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1277 -3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5093 -0.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2453 -1.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8228 -3.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -3.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -4.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2675 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 16 1 0 0 0 0 5 14 2 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 7 20 1 0 0 0 0 8 20 2 0 0 0 0 9 24 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 22 1 0 0 0 0 11 26 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 6 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 28 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 $$$$