B1WRQ2
-OEChem-04022108272D
41 44 0 1 0 0 0 0 0999 V2000
7.0165 1.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 0.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -3.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3984 3.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -3.7400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.9622 -2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -0.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 -2.7901 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.0091 -0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -0.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -2.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 1.4561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3334 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -2.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 1.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2299 0.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -3.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 0.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -2.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 2.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 2.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -3.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 0.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -1.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4313 1.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2068 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18 1 1 6 0 0 0
1 40 1 0 0 0 0
2 16 2 0 0 0 0
3 17 2 0 0 0 0
4 23 1 0 0 0 0
4 41 1 0 0 0 0
5 8 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
7 13 1 0 0 0 0
7 16 1 0 0 0 0
8 24 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
11 15 1 0 0 0 0
11 19 2 0 0 0 0
12 14 2 0 0 0 0
12 20 1 0 0 0 0
13 18 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 16 1 0 0 0 0
14 21 1 0 0 0 0
15 17 1 0 0 0 0
15 22 2 0 0 0 0
18 23 1 0 0 0 0
18 30 1 0 0 0 0
19 26 1 0 0 0 0
19 32 1 0 0 0 0
20 25 2 0 0 0 0
20 31 1 0 0 0 0
21 24 2 0 0 0 0
21 33 1 0 0 0 0
22 27 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
24 25 1 0 0 0 0
25 37 1 0 0 0 0
26 27 2 0 0 0 0
26 38 1 0 0 0 0
27 39 1 0 0 0 0
M CHG 2 5 -1 8 1
M END
$$$$