B0BYN9
-OEChem-04012119392D
57 59 0 1 0 0 0 0 0999 V2000
7.4321 -0.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 1.5402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.9077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 1.1801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.9641 2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9184 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6615 1.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6126 1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3557 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3068 1.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1478 3.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0499 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8910 3.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8420 3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 0.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5706 2.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 2.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 2.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3576 2.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0887 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3451 0.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8384 2.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6273 0.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4069 0.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9526 2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1730 2.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3215 1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1011 1.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4357 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5582 3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6396 2.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7621 4.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3028 4.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
3 11 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
4 36 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
5 39 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 29 1 0 0 0 0
7 8 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 9 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
12 13 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 15 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
14 16 1 0 0 0 0
14 18 2 0 0 0 0
15 17 1 0 0 0 0
15 42 1 0 0 0 0
15 43 1 0 0 0 0
16 19 1 0 0 0 0
16 20 2 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
18 21 1 0 0 0 0
18 44 1 0 0 0 0
19 25 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 24 1 0 0 0 0
20 47 1 0 0 0 0
21 24 2 0 0 0 0
21 48 1 0 0 0 0
22 26 1 0 0 0 0
22 49 1 0 0 0 0
23 27 2 0 0 0 0
23 50 1 0 0 0 0
24 51 1 0 0 0 0
25 52 1 0 0 0 0
25 53 1 0 0 0 0
25 54 1 0 0 0 0
26 28 2 0 0 0 0
26 55 1 0 0 0 0
27 28 1 0 0 0 0
27 56 1 0 0 0 0
28 57 1 0 0 0 0
M END
$$$$