IMI Mol v1.0
14
(0.177593,0.562371)  H 2 HB   (0.143303,-0.0730029)
(1.06554,0.325584)  H 4 3HG2   (-0.128565,0.1366)
(-1.29246,0.700497)  H 4 3HD1   (-0.119476,0.157901)
(-0.818888,1.27273)  H 4 2HD1   (0.153029,-0.0292589)
(-0.887951,-0.305851)  C 3 CG1   (-0.227162,-0.19956)
(-0.0493289,0.76956)  H 4 1HD1   (-0.127164,0.136973)
(-0.651164,0.532773)  C 3 CD1   (0.0334397,0.14111)
(1.02609,-0.957021)  H 4 1HG2   (-0.126853,-0.202674)
(-0.0313809,-0.0854412)  C 2 CB   (0.169509,0.0163741)
(-1.51938,-0.138121)  H 4 2HG1   (-0.0931162,0.146149)
(0.809025,-0.345311)  C 3 CG2   (0.120529,-0.0883883)
(-0.730093,-0.947151)  H 4 1HG1   (-0.094716,-0.193939)
(1.51938,-0.0789312)  H 4 2HG2   (-0.155578,0.143109)
(0.246656,-1.27273)  R 2 R4   (-0.209447,0.0882298)
13
+ 11 9   5 1.538
+ 8 11   5 1.111
+ 11 2   5 1.111
+ 7 3   5 1.111
+ 7 6   5 1.111
+ 5 7   5 1.528
+ 5 10   5 1.111
+ 5 12   5 1.111
+ 9 5   5 1.538
+ 9 1   5 1.111
+ 7 4   5 1.111
+ 13 11   5 1.111
+ 14 9   3 1.5
24
+ 12 5 9   8 9   5 110.1
- 12 5 10   8 7   5 120.0
- 12 5 7   8 6   5 120.0
- 2 11 13   3 12   5 120.0
- 2 11 8   3 2   5 120.0
+ 2 11 9   3 1   5 110.1
- 13 11 8   12 2   5 120.0
+ 13 11 9   12 1   5 110.1
+ 4 7 5   11 6   5 110.1
- 4 7 6   11 5   5 120.0
- 4 7 3   11 4   5 120.0
+ 11 9 14   1 13   5 108.5
- 11 9 1   1 10   5 120.0
- 11 9 5   1 9   5 120.0
+ 9 11 8   1 2   5 110.1
+ 3 7 5   4 6   5 110.1
- 3 7 6   4 5   5 120.0
+ 6 7 5   5 6   5 110.1
+ 7 5 9   6 9   5 113.5
- 7 5 10   6 7   5 120.0
+ 10 5 9   7 9   5 110.1
+ 5 9 14   9 13   3 111
- 5 9 1   9 10   5 120.0
+ 1 9 14   10 13   5 110.1
21
- 12 5 9 14   + 1 22   4 60.0 0
- 12 5 9 10   - 1 21   5 120.0 0.00445399
+ 7 5 9 12   - 19 1   5 120.0 -0.0226798
+ 8 11 9 2   - 15 6   6 -120.0 0.00367552
- 2 11 9 14   + 6 12   4 60.0 0
- 2 11 9 13   - 6 8   6 -120.0 -0.106588
+ 8 11 9 13   - 15 8   5 120.0 0
- 13 11 9 14   + 8 12   4 60.0 0.0952363
- 4 7 5 9   + 9 19   4 60.0 0
+ 6 7 5 4   - 18 9   5 120.0 -0.00398562
- 4 7 5 3   - 9 16   6 -120.0 -0.0105964
- 1 9 14 11   - 24 12   5 120.0 -0.0224523
+ 5 9 14 11   - 22 12   5 120.0 0
+ 14 9 11 8   + 12 15   5 180.0 0.00814733
- 3 7 5 9   + 16 19   4 60.0 0
+ 6 7 5 3   - 18 16   6 -120.0 -0.0443069
+ 6 7 5 9   + 18 19   5 180.0 -0.0457412
+ 7 5 9 14   + 19 22   3 170 0.061236
+ 7 5 9 10   - 19 21   6 -120.0 0.010864
- 10 5 9 14   + 21 22   4 60.0 0
+ 5 9 14 1   - 22 24   6 -120.0 -0.017355
0
-1 -1 -1