B0V9TS -OEChem-04012116462D 45 47 0 0 0 0 0 0 0999 V2000 4.4042 -2.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 0.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 -3.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0223 -2.3054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -2.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -4.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 -4.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 3.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -5.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 -4.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 -0.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 -0.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 -0.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 -0.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -4.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 2.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 0.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 3.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 1.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 3.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 3.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -5.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -5.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -6.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -3.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 -4.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 -4.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 5.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 14 1 0 0 0 0 3 26 1 0 0 0 0 4 25 1 0 0 0 0 4 45 1 0 0 0 0 5 25 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$