diff options
Diffstat (limited to 'java/resources/CML2SDF.sdf')
| -rw-r--r-- | java/resources/CML2SDF.sdf | 58 |
1 files changed, 0 insertions, 58 deletions
diff --git a/java/resources/CML2SDF.sdf b/java/resources/CML2SDF.sdf deleted file mode 100644 index e71c541..0000000 --- a/java/resources/CML2SDF.sdf +++ /dev/null @@ -1,58 +0,0 @@ -
- -ISIS- 3D
-
- 8 3 0 0 0 0 0 0 0 0 1 V2000
- 84.0000 138.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 84.0000 138.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 105.6510 125.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 105.6510 125.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 127.3010 138.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 127.3010 138.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 148.9520 125.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 148.9520 125.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 4 1 0 0 0 0
-M END
-> <a_count>
-789
-
-> <GenerationSoftware>
-XDrawChem 0.9
-
-> <testDoubleArray>
-10
-7.674
-8.9731
-8.9731
-7.674
-6.375
-6.375
-10.2721
-10.2721
-8.973
-7.674
-
-> <GenerationDate>
-Sat May 4 14:07:20 2002
-
-> <testIntArray>
-7
-1
-2
-3
-4
-5
-6
-7
-
-> <Kier2>
-456.123
-
-> <Kier1>
-123.456
-
-> <testDescString>
-abcgdg
-
-$$$$
|