BO4KT1 -OEChem-04012117042D 48 51 0 1 0 0 0 0 0999 V2000 4.6660 -1.3252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.3252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 -3.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 -1.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 2.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.3252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.8252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1748 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9061 1.7095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 0.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 2.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.9798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 2.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 3.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 4.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 4.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 4.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -4.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -4.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2052 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 9 1 0 0 0 0 1 16 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$