BHO1N9
-OEChem-04022103022D
46 48 0 0 0 0 0 0 0999 V2000
2.0000 4.0068 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
2.8660 3.5068 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0
5.1349 -1.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 1.9190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9930 4.4933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 1.9190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8258 -2.5147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8238 6.1025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4439 -2.5147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 3.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7851 3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 -0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9065 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3238 5.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8020 5.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6349 -3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6349 -4.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 -4.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5009 -4.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 -5.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5009 -5.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6349 -6.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7124 1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2457 2.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7477 3.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2144 3.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8713 2.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4047 3.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4678 -0.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3845 0.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0331 -0.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1164 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4435 4.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7072 5.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2628 6.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2319 -4.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0378 -4.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2319 -5.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0378 -5.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6349 -6.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 17 1 0 0 0 0
3 10 1 0 0 0 0
3 18 1 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
4 17 1 0 0 0 0
5 13 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 7 1 0 0 0 0
6 14 2 0 0 0 0
7 17 2 0 0 0 0
8 18 2 0 0 0 0
8 22 1 0 0 0 0
9 20 2 0 0 0 0
9 21 1 0 0 0 0
10 22 2 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 18 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
24 42 1 0 0 0 0
25 27 2 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 28 1 0 0 0 0
27 45 1 0 0 0 0
28 46 1 0 0 0 0
M CHG 2 1 1 2 -1
M END
$$$$