IMI Mol v1.0
11
(-0.637568,0.598915)  H 4 3HG1   (-0.114206,0.135662)
(1.0005,0.579297)  H 4 3HG2   (-0.14397,0.12858)
(0.183678,-0.873562)  R 2 R4   (-0.226149,0.0807402)
(-0.67092,-0.603372)  H 4 1HG1   (-0.107741,-0.210684)
(1.31438,0.118288)  H 4 2HG2   (-0.139306,0.136553)
(-1.31438,0.275224)  H 4 2HG1   (-0.0942935,0.135345)
(0.912228,-0.548712)  H 4 1HG2   (-0.147715,-0.208711)
(-0.0883854,0.228608)  C 2 CB   (-0.145211,0.132411)
(0.166754,0.873562)  H 2 HB   (0.0597691,-0.172764)
(-0.788643,-0.0332021)  C 3 CG1   (-0.294405,-0.143769)
(0.709408,-0.0461521)  C 3 CG2   (0.102275,-0.102275)
10
+ 10 4   5 1.111
+ 10 6   5 1.111
+ 10 1   5 1.111
+ 11 2   5 1.111
+ 11 5   5 1.111
+ 11 7   5 1.111
+ 8 9   5 1.111
+ 8 11   5 1.538
+ 8 10   5 1.538
+ 3 8   3 1.5
18
+ 4 10 8   1 9   5 110.1
- 4 10 1   1 3   5 120.0
- 4 10 6   1 2   5 120.0
+ 5 11 8   5 8   5 110.1
- 5 11 7   5 6   5 120.0
- 5 11 2   5 4   5 120.0
+ 6 10 8   2 9   5 110.1
- 6 10 1   2 3   5 120.0
+ 1 10 8   3 9   5 110.1
+ 2 11 8   4 8   5 110.1
- 2 11 7   4 6   5 120.0
+ 7 11 8   6 8   5 110.1
+ 9 8 3   7 10   5 110.1
- 9 8 10   7 9   5 120.0
- 9 8 11   7 8   5 120.0
+ 11 8 3   8 10   5 108.5
- 11 8 10   8 9   5 120.0
+ 10 8 3   9 10   5 108.5
15
+ 4 10 8 3   + 1 18   3 180 0.0326053
+ 4 10 8 1   - 1 9   4 -120 0.00749953
+ 4 10 8 6   - 1 7   3 120 -0.027387
- 5 11 8 3   + 4 16   4 60.0 -0.0330996
+ 7 11 8 5   - 12 4   3 120 0
- 5 11 8 2   - 4 10   5 120.0 0
- 6 10 8 3   + 7 18   4 60.0 0.018412
- 6 10 8 1   - 7 9   4 -120 -0.000119366
- 1 10 8 3   + 9 18   4 60.0 0.00200674
- 2 11 8 3   + 10 16   4 60.0 0.0152224
+ 7 11 8 2   - 12 10   4 -120 -0.0092305
+ 7 11 8 3   + 12 16   3 180 -0.052025
+ 10 8 3 9   - 18 13   4 -120 -0.0192255
- 9 8 3 11   - 13 16   6 -120.0 0.0086248
+ 10 8 3 11   - 18 16   3 120 0.00599164
0
-1 -1 -1