BD8I2Z
-OEChem-04012118012D
50 53 0 0 0 0 0 0 0999 V2000
4.6701 -3.5352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 1.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6701 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6381 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1733 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5891 -0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1244 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3323 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9694 0.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0185 -0.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5518 -0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4644 1.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6847 1.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2981 -1.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0777 -0.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7440 1.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2107 1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6608 -0.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9071 0.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 3.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 2.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 5.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0501 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2901 -4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 4.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 19 1 0 0 0 0
1 26 1 0 0 0 0
2 13 1 0 0 0 0
2 15 1 0 0 0 0
5 12 1 0 0 0 0
5 15 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 11 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 11 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 1 0 0 0 0
16 20 1 0 0 0 0
16 39 1 0 0 0 0
17 21 2 0 0 0 0
17 40 1 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
22 24 1 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 27 2 0 0 0 0
24 45 1 0 0 0 0
25 27 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
26 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$