BRW80L
-OEChem-04012120282D
36 37 0 0 0 0 0 0 0999 V2000
3.3987 -1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 2.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 3.8649 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.2647 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 2.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8987 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3109 4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6541 -3.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0526 -3.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8753 -2.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4768 -1.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7413 -3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3428 -3.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7973 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 1.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 1.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 4.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 -0.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 -0.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5107 -4.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -5.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7507 -4.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8125 5.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 5.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8093 4.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 9 1 0 0 0 0
2 3 1 0 0 0 0
2 5 1 0 0 0 0
2 24 1 0 0 0 0
3 13 2 0 0 0 0
3 17 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 10 2 0 0 0 0
6 11 2 0 0 0 0
6 12 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 16 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 13 1 0 0 0 0
10 25 1 0 0 0 0
11 14 1 0 0 0 0
11 26 1 0 0 0 0
12 15 2 0 0 0 0
12 27 1 0 0 0 0
13 28 1 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
M CHG 1 3 1
M END
$$$$