Update template_smiles.h (#10)

* CRDGEN-98 CRDGEN-103
rdkit · Nov 27, 2023 · f8e2ce0 · f8e2ce0
1 parent 5089ba9
commit f8e2ce0
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/templates.smi b/templates.smi
@@ -69,4 +69,6 @@ C1=CCCC2CCCCC2CCCCC2CCCC(CCCCCCC1)C2 |(-0.04,3.43,;-0.04,1.93,;-1.34,1.18,;-2.64
 C1CCCCC2CCCCC2CCCCC2CCCC(CCC1)C2 |(1.96,1.8,;0.46,1.8,;-0.29,3.1,;-1.79,3.1,;-2.54,1.8,;-3.94,1.26,;-5.24,2.01,;-6.54,1.26,;-6.54,-0.24,;-5.24,-0.99,;-3.94,-0.24,;-2.54,-0.78,;-1.79,-2.08,;-0.29,-2.08,;0.46,-3.38,;1.96,-3.38,;2.71,-4.68,;4.21,-4.68,;4.96,-3.38,;4.21,-2.08,;4.96,-0.78,;4.21,0.5,;2.71,0.5,;2.71,-2.08,)|
 C12C3C4C1C1C2C3C41 |(-4.87,2.71,;-4.87,4.42,;-3.16,4.42,;-3.16,2.71,;-3.89,1.9,;-5.6,1.9,;-5.6,3.61,;-3.89,3.61,)|
 C1CC2NCC1CN2 |(0.18,3.02,;1.22,3.92,;0.63,5.1,;-0.75,4.3,;-0.75,2.69,;0.63,1.89,;2.02,2.69,;2.02,4.3,)|
-C1C2CC3CC1CC3C2 |(-7.01,3.13,;-7.71,4.35,;-7.01,5.56,;-5.61,5.56,;-4.91,4.35,;-5.61,3.13,;-4.28,3.57,;-4.28,5.13,;-6.34,4.05,)|
+C1C2CC3CC1CC3C2 |(-7.01,3.13,;-7.71,4.35,;-7.01,5.56,;-5.61,5.56,;-4.91,4.35,;-5.61,3.13,;-4.28,3.57,;-4.28,5.13,;-6.34,4.05,)|
+C1CC2C3CCC4C1C1CCC2C2CCC1C1CCC2C3CCC41 |(-1.94049,-5.53747,;-1.94049,-1.8102,;-0.825758,-0.511159,;-1.57576,0.787879,;-3.07576,0.787879,;-3.07576,-2.93939,;-1.57576,-2.93939,;-0.825758,-4.23843,;0.674242,-4.23843,;1.72266,-5.53747,;1.72266,-1.8102,;0.674242,-0.511159,;1.42424,0.787879,;2.92424,0.787879,;2.92424,-2.93939,;1.42424,-2.93939,;0.674242,-1.64036,;1.72266,-0.341318,;1.72266,3.38596,;0.674242,2.08692,;-0.825758,2.08692,;-1.94049,3.38596,;-1.94049,-0.341318,;-0.825758,-1.64036,)|
+C1C2C3CC4C5CC3C1C5C24 |(-1.68833,-1.6056,;-0.474804,-0.723925,;-1.13662,-0.251107,;0.360708,1.45266,;-0.93833,2.20266,;-2.43833,2.20266,;-3.73737,1.45266,;-2.19718,-0.251107,;-2.90185,-0.723925,;-2.43833,0.70266,;-0.93833,0.70266,)|