B45QMV -OEChem-04012114012D 52 53 0 0 0 0 0 0 0999 V2000 6.8671 -0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6972 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 3.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 4.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2341 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 4.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 1.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0072 1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 2.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 13 2 0 0 0 0 6 8 1 0 0 0 0 6 52 1 0 0 0 0 7 15 1 0 0 0 0 7 38 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 22 1 0 0 0 0 16 24 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$