B2VLQ4
-OEChem-04012113232D
52 55 0 1 0 0 0 0 0999 V2000
4.6660 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 -2.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.0950 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.5321 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.1301 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3422 -2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7407 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1860 -2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7407 -1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3422 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6626 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8656 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6101 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0087 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 -2.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 -2.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -3.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 19 1 0 0 0 0
2 29 1 0 0 0 0
3 10 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 8 1 0 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
6 13 2 0 0 0 0
6 16 1 0 0 0 0
7 28 3 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
14 18 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 17 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
18 24 2 0 0 0 0
19 22 2 0 0 0 0
20 23 2 0 0 0 0
20 43 1 0 0 0 0
21 25 2 0 0 0 0
21 28 1 0 0 0 0
22 23 1 0 0 0 0
22 44 1 0 0 0 0
23 45 1 0 0 0 0
24 26 1 0 0 0 0
24 46 1 0 0 0 0
25 27 1 0 0 0 0
25 47 1 0 0 0 0
26 27 2 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
$$$$