diff options
Diffstat (limited to 'java/resources/test2.mol')
| -rw-r--r-- | java/resources/test2.mol | 46 |
1 files changed, 46 insertions, 0 deletions
diff --git a/java/resources/test2.mol b/java/resources/test2.mol new file mode 100644 index 0000000..1c08b41 --- /dev/null +++ b/java/resources/test2.mol @@ -0,0 +1,46 @@ +
+ TestMolecule 2
+
+ 16 18 0 0 0 0 0 0 0 0 1 V2000
+ 5.8468 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.5999 -2.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.8468 -4.7659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.3151 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 7.0852 -2.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.3151 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 7.0852 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 3.9851 -4.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.5535 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.5999 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.7919 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.5535 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 2.7467 -4.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.7919 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.5535 -6.5351 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.0388 -5.3472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 1 1 0 0 0 0
+ 4 7 1 0 0 0 0
+ 5 1 2 0 0 0 0
+ 6 5 1 0 0 0 0
+ 7 3 1 0 0 0 0
+ 8 2 1 0 0 0 0
+ 9 4 1 0 0 0 0
+ 10 3 1 0 0 0 0
+ 11 9 2 0 0 0 0
+ 12 6 1 0 0 0 0
+ 13 8 2 0 0 0 0
+ 14 12 2 0 0 0 0
+ 15 9 1 0 0 0 0
+ 16 11 1 0 0 0 0
+ 8 10 1 0 0 0 0
+ 6 4 2 0 0 0 0
+ 14 11 1 0 0 0 0
+M END
+> <ID> (1111)
+1111
+
+> <Descriptor 1> (1111)
+123
+
+$$$$
|