BAV37E
-OEChem-04012118182D
51 53 0 0 0 0 0 0 0999 V2000
13.3205 1.2637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 2.7637 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7282 1.7879 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.2583 -0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7282 -0.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9904 -0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8205 2.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8205 0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6000 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4545 1.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -1.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1865 0.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1243 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9904 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2583 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8564 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1243 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2583 2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4983 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4983 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8564 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5884 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5923 0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5923 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5884 0.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3889 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5918 2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8783 2.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2583 3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6383 2.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5055 2.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5055 -0.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3194 -0.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 -0.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1254 -0.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4545 2.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7234 1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1865 0.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2518 -2.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 -3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 -2.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -0.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -0.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -1.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 22 1 0 0 0 0
3 27 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 26 1 0 0 0 0
5 30 1 0 0 0 0
6 19 2 0 0 0 0
9 30 2 0 0 0 0
10 25 1 0 0 0 0
10 43 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 44 1 0 0 0 0
12 45 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
13 19 1 0 0 0 0
14 17 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 20 1 0 0 0 0
16 18 1 0 0 0 0
16 21 2 0 0 0 0
17 22 2 0 0 0 0
17 24 1 0 0 0 0
18 23 2 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
21 27 1 0 0 0 0
21 38 1 0 0 0 0
22 25 1 0 0 0 0
23 26 1 0 0 0 0
23 39 1 0 0 0 0
24 28 2 0 0 0 0
24 40 1 0 0 0 0
25 29 2 0 0 0 0
26 27 2 0 0 0 0
28 29 1 0 0 0 0
28 41 1 0 0 0 0
29 42 1 0 0 0 0
31 46 1 0 0 0 0
31 47 1 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
32 50 1 0 0 0 0
32 51 1 0 0 0 0
M END
$$$$