IMI Mol v1.0
10
(0.984798,-0.0112445)  H 3 2HG   (-0.149434,-0.204331)
(0.146631,-1.56631)  R 2 R4   (0.0689497,0.0976839)
(-0.819761,-0.875654)  H 3 1HB   (-0.0897078,-0.208975)
(0.219195,0.171596)  C 2 CG   (0.0546441,0.122949)
(0.15604,1.56631)  O 3 OE2   (-0.028039,-0.205473)
(-0.161607,-0.643914)  C 2 CB   (-0.202179,0.104971)
(0.671908,-0.868804)  H 3 2HB   (-0.106017,0.121018)
(-0.600466,-0.0401445)  H 3 1HG   (-0.0732132,0.120985)
(-0.162753,0.918902)  C 2 CD   (-0.160611,0.125304)
(-0.984797,0.926822)  O 3 OE1   (-0.0863544,-0.226194)
9
+ 4 8   5 1.111
+ 4 1   5 1.111
+ 9 5   4 1.26
+ 9 10   4 1.26
+ 4 9   5 1.522
+ 6 4   4 1.53
+ 6 7   5 1.111
+ 6 3   5 1.111
+ 2 6   5 1.538
15
+ 8 4 6   1 6   5 110.1
- 8 4 9   1 5   5 120.0
- 8 4 1   1 2   5 120.0
+ 1 4 6   2 6   5 110.1
- 1 4 9   2 5   5 120.0
+ 5 9 4   3 5   5 118.0
- 5 9 10   3 4   5 120.0
+ 10 9 4   4 5   5 118.0
+ 9 4 6   5 6   5 108.0
+ 4 6 2   6 9   5 113.5
- 4 6 3   6 8   5 120.0
- 4 6 7   6 7   5 120.0
+ 7 6 2   7 9   5 110.1
- 7 6 3   7 8   5 120.0
+ 3 6 2   8 9   5 110.1
12
- 8 4 6 2   + 1 10   4 60.0 0
+ 9 4 6 8   - 9 1   3 120 0
- 8 4 6 1   - 1 4   5 120.0 0
- 1 4 6 2   + 4 10   4 60.0 -0.0150716
+ 9 4 6 1   - 9 4   4 -120 0.012403
- 5 9 4 6   + 6 9   4 60.0 0
+ 10 9 4 5   - 8 6   3 180 0.02183
+ 10 9 4 6   + 8 9   3 -10 0
+ 9 4 6 2   + 9 10   3 180 -0.0911372
+ 4 6 2 3   - 10 15   3 120 0
+ 4 6 2 7   - 10 13   4 -120 0
- 7 6 2 3   - 13 15   5 120.0 -0.00376217
0
-1 -1 -1