BP1E2C
-OEChem-04022107552D
55 58 0 0 0 0 0 0 0999 V2000
3.7436 0.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2077 0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0116 0.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0795 1.7316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6096 -0.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6096 2.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4795 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3474 1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6154 1.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7436 1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9436 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7436 0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2115 1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8496 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6096 1.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7475 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9436 0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8496 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6193 2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4756 1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4756 0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8834 1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7552 3.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8872 2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3417 -0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8757 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 -1.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7359 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -3.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0791 0.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8762 0.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7478 2.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9508 2.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8568 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0819 2.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4078 -0.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8568 -0.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1574 3.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0126 1.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3452 1.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7576 3.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3515 3.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0317 -0.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8786 -0.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6517 0.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1465 3.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0727 3.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4681 -1.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2740 -1.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -3.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 -3.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8617 -3.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 26 1 0 0 0 0
2 13 2 0 0 0 0
3 26 2 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
4 38 1 0 0 0 0
5 12 2 0 0 0 0
5 21 1 0 0 0 0
6 15 1 0 0 0 0
6 49 1 0 0 0 0
6 50 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 33 1 0 0 0 0
7 34 1 0 0 0 0
8 13 1 0 0 0 0
8 35 1 0 0 0 0
8 36 1 0 0 0 0
9 16 1 0 0 0 0
9 19 2 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
10 15 2 0 0 0 0
11 14 2 0 0 0 0
11 17 1 0 0 0 0
12 18 1 0 0 0 0
14 37 1 0 0 0 0
15 20 1 0 0 0 0
16 22 2 0 0 0 0
17 18 2 0 0 0 0
17 39 1 0 0 0 0
18 40 1 0 0 0 0
19 23 1 0 0 0 0
19 41 1 0 0 0 0
20 21 2 0 0 0 0
20 42 1 0 0 0 0
21 25 1 0 0 0 0
22 24 1 0 0 0 0
22 43 1 0 0 0 0
23 24 2 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
28 30 1 0 0 0 0
28 51 1 0 0 0 0
29 31 2 0 0 0 0
29 52 1 0 0 0 0
30 32 2 0 0 0 0
30 53 1 0 0 0 0
31 32 1 0 0 0 0
31 54 1 0 0 0 0
32 55 1 0 0 0 0
M END
$$$$