D0S5OQ
-OEChem-10101305022D
43 43 0 1 0 0 0 0 0999 V2000
5.7000 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8805 1.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7216 2.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5043 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8101 -2.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2353 1.2098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2320 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1863 0.9008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3942 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3453 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9295 1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5532 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1672 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2969 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6256 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3566 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 0.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1064 1.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7256 0.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7746 -0.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3080 -0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9649 -0.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4316 0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3413 1.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6332 -2.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 21 1 0 0 0 0
3 42 1 0 0 0 0
4 21 2 0 0 0 0
5 22 1 0 0 0 0
5 43 1 0 0 0 0
6 22 2 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
7 15 1 0 0 0 0
8 14 1 0 0 0 0
17 8 1 6 0 0 0
8 30 1 0 0 0 0
16 9 1 6 0 0 0
9 40 1 0 0 0 0
9 41 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 23 1 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 13 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
15 16 1 0 0 0 0
16 19 1 0 0 0 0
16 31 1 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
17 32 1 0 0 0 0
18 20 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 22 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
M END
$$$$