Whoops forgot to check in the test file.

johnmay · johnmay · commit 425434017ca7 · 2019-11-21T13:07:26.000Z
diff --git a/storage/ctab/src/test/resources/org/openscience/cdk/io/issue602.mol b/storage/ctab/src/test/resources/org/openscience/cdk/io/issue602.mol
@@ -0,0 +1,89 @@
+
+  Mrv1719003161905392D
+
+  0  0  0     0  0            999 V3000
+M  V30 BEGIN CTAB
+M  V30 COUNTS 31 33 0 0 0
+M  V30 BEGIN ATOM
+M  V30 1 C 8.3902 -2.0607 0 0
+M  V30 2 C 7.6062 -0.7351 0 0
+M  V30 3 S 9.9301 -2.0445 0 0
+M  V30 4 O 11.4701 -2.0284 0 0
+M  V30 5 O 9.914 -0.5046 0 0
+M  V30 6 O 9.9462 -3.5844 0 0
+M  V30 7 C 6.0663 -0.7512 0 0
+M  V30 8 C 5.3103 -2.0929 0 0
+M  V30 9 C 3.7704 -2.109 0 0
+M  V30 10 C 2.9865 -0.7835 0 0
+M  V30 11 C 3.7425 0.5582 0 0
+M  V30 12 C 5.2824 0.5743 0 0
+M  V30 13 N 1.4466 -0.7996 0 0
+M  V30 14 S -0.5553 -3.0465 0 0
+M  V30 15 C 0.6906 -2.1413 0 0
+M  V30 16 N 1.9365 -3.0465 0 0
+M  V30 17 C 1.4606 -4.5111 0 0
+M  V30 18 C -0.0794 -4.5111 0 0
+M  V30 19 C -0.0654 -0.7996 0 0
+M  V30 20 C -1.6053 -0.7835 0 0
+M  V30 21 C -2.3613 0.5582 0 0
+M  V30 22 C -1.5774 1.8837 0 0
+M  V30 23 C -0.0375 1.8676 0 0
+M  V30 24 C 0.7185 0.5259 0 0
+M  V30 25 C -2.3334 3.2254 0 0
+M  V30 26 F -3.0894 4.5671 0 0
+M  V30 27 F -0.9917 3.9814 0 0
+M  V30 28 F -3.675 2.4694 0 0
+M  V30 29 C 2.3658 -5.757 0 0
+M  V30 30 C -0.9846 -5.757 0 0
+M  V30 31 C 1.5915 0.7335 0 0
+M  V30 END ATOM
+M  V30 BEGIN BOND
+M  V30 1 2 1 2
+M  V30 2 1 3 4
+M  V30 3 2 3 5
+M  V30 4 2 3 6
+M  V30 5 1 1 3 CFG=2
+M  V30 6 2 7 8
+M  V30 7 1 8 9
+M  V30 8 2 9 10
+M  V30 9 1 10 11
+M  V30 10 2 11 12
+M  V30 11 1 7 12
+M  V30 12 1 14 15
+M  V30 13 1 15 16
+M  V30 14 2 16 17
+M  V30 15 1 17 18
+M  V30 16 1 14 18
+M  V30 17 2 19 20
+M  V30 18 1 20 21
+M  V30 19 2 21 22
+M  V30 20 1 22 23
+M  V30 21 2 23 24
+M  V30 22 1 19 24
+M  V30 23 1 25 26
+M  V30 24 1 25 27
+M  V30 25 1 25 28
+M  V30 26 1 22 25
+M  V30 27 1 15 19
+M  V30 28 1 17 29
+M  V30 29 2 18 30
+M  V30 30 1 13 15
+M  V30 31 1 13 31
+M  V30 32 1 10 13
+M  V30 33 1 2 7
+M  V30 END BOND
+M  V30 END CTAB
+M  END
+> <ID>
+SCHEMBL20797956
+
+> <InChI>
+InChI=1S/C21H19F3N2O3S2/c1-14-15(2)30-21(25-14,18-8-6-17(7-9-18)20(22,23)24)26(3)19-10-4-16(5-11-19)12-13-31(27,28)29/h4-13H,2H2,1,3H3,(H,27,28,29)
+
+> <InChIKey>
+FWBGYJRFDSZFJM-UHFFFAOYSA-N
+
+> <MW>
+468.51
+
+$$$$
