B2UKR4
-OEChem-04022109112D
37 39 0 1 0 0 0 0 0999 V2000
3.8451 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3092 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2554 -3.5742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4432 -3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 2.8184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2111 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5202 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3092 -2.2694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.4432 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4432 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3092 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2554 -1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8390 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8051 2.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6047 3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8176 3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1463 4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8302 2.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0865 3.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1877 0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7892 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3748 -1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0402 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4480 -1.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0402 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4590 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0402 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 17 2 0 0 0 0
3 8 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
4 13 1 0 0 0 0
4 17 1 0 0 0 0
4 33 1 0 0 0 0
5 18 2 0 0 0 0
5 21 1 0 0 0 0
6 18 1 0 0 0 0
6 22 2 0 0 0 0
7 14 3 0 0 0 0
8 9 1 0 0 0 0
8 14 1 6 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 13 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
15 16 1 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
15 32 1 0 0 0 0
16 17 1 0 0 0 0
16 20 2 0 0 0 0
19 21 2 0 0 0 0
19 34 1 0 0 0 0
20 22 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
M END
$$$$