@@ -7652,7 +7652,154 @@ M END
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OK
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ind-288-queryfeats_twofragsV3000.mol:
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- molfile loader: Query substitution count as drawn is not supported yet (SUBST=-2)
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+ molfile-saving-mode: auto
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+
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+ -INDIGO-01000000002D
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+
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+ 0 0 0 0 0 0 0 0 0 0 0 V3000
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+ M V30 BEGIN CTAB
7661
+ M V30 COUNTS 17 17 0 0 0
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+ M V30 BEGIN ATOM
7663
+ M V30 1 C -1.25143 -1.17079 0.0 0
7664
+ M V30 2 C -1.25259 -1.99816 0.0 0
7665
+ M V30 3 C -0.537777 -2.41104 0.0 0
7666
+ M V30 4 C 0.178667 -1.99769 0.0 0
7667
+ M V30 5 C 0.17581 -1.16716 0.0 0
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+ M V30 6 C -0.539582 -0.758027 0.0 0
7669
+ M V30 7 N -0.542045 0.0669694 0.0 0 SUBST=-2
7670
+ M V30 8 C -0.537978 -3.23604 0.0 0 RBCNT=3
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+ M V30 9 C 3.8625 -1.175 0.0 0
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+ M V30 11 C 4.57452 -2.40833 0.0 0 CFG=1
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+ M V30 13 C 5.28654 -1.175 0.0 0
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+ M V30 15 C 4.57452 0.0666667 0.0 0
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+ M V30 16 C 4.57452 -3.23333 0.0 0
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+ M V30 17 C 6.00041 -2.41354 0.0 0
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+ M V30 END ATOM
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+ M V30 BEGIN BOND
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+ M V30 14 1 13 14
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+ M V30 15 1 14 15 CFG=1
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+ M V30 16 1 11 16 CFG=1
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+ M V30 17 1 12 17 CFG=3
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+ M V30 END BOND
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+ M V30 BEGIN COLLECTION
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+ M V30 MDLV30/STERAC1 ATOMS=(2 11 14)
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+ M V30 MDLV30/STEABS ATOMS=(1 12)
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+ M V30 END COLLECTION
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+ M V30 END CTAB
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+ M END
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+ 11 16 1 1 0 0 0
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+ 12 17 1 6 0 0 0
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+ M SUB 1 7 -2
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+ M RBC 1 8 3
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+ M END
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+
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+ molfile-saving-mode: 3000
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+
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+ -INDIGO-01000000002D
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+
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+ 0 0 0 0 0 0 0 0 0 0 0 V3000
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+ M V30 BEGIN CTAB
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+ M V30 COUNTS 17 17 0 0 0
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+ M V30 BEGIN ATOM
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+ M V30 1 C -1.25143 -1.17079 0.0 0
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+ M V30 2 C -1.25259 -1.99816 0.0 0
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+ M V30 3 C -0.537777 -2.41104 0.0 0
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+ M V30 5 C 0.17581 -1.16716 0.0 0
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+ M V30 7 N -0.542045 0.0669694 0.0 0 SUBST=-2
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+ M V30 8 C -0.537978 -3.23604 0.0 0 RBCNT=3
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+ M V30 9 C 3.8625 -1.175 0.0 0
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+ M V30 10 C 3.8625 -2.0 0.0 0
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+ M V30 11 C 4.57452 -2.40833 0.0 0 CFG=1
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+ M V30 12 C 5.28654 -2.0 0.0 0 CFG=2
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+ M V30 13 C 5.28654 -1.175 0.0 0
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+ M V30 14 C 4.57452 -0.758333 0.0 0 CFG=2
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+ M V30 15 C 4.57452 0.0666667 0.0 0
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+ M V30 16 C 4.57452 -3.23333 0.0 0
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+ M V30 17 C 6.00041 -2.41354 0.0 0
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+ M V30 END ATOM
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+ M V30 BEGIN BOND
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+ M V30 1 2 3 4
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+ M V30 2 2 1 2
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+ M V30 3 1 4 5
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+ M V30 4 2 5 6
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+ M V30 5 1 6 1
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+ M V30 6 1 2 3
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+ M V30 7 1 6 7
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+ M V30 8 1 3 8
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+ M V30 11 1 10 11
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+ M V30 12 1 11 12
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+ M V30 13 1 12 13
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+ M V30 14 1 13 14
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+ M V30 15 1 14 15 CFG=1
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+ M V30 16 1 11 16 CFG=1
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+ M V30 17 1 12 17 CFG=3
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+ M V30 END BOND
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+ M V30 BEGIN COLLECTION
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+ M V30 MDLV30/STERAC1 ATOMS=(2 11 14)
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+ M V30 MDLV30/STEABS ATOMS=(1 12)
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+ M V30 END COLLECTION
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+ M V30 END CTAB
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+ M END
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+
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+ OK
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ind-289-link_v3000.mol:
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molfile loader: link nodes are not supported yet (M V30 LINKNODE 1 2 2 2 3 2 1)
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ind-290-list2v2000.mol:
@@ -8683,6 +8830,129 @@ M V30 15 1 14 15
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M V30 16 1 15 16
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M V30 END BOND
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M V30 END CTAB
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+ M END
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+
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+ OK
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+ ind-928-asdrawn.mol:
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+ molfile-saving-mode: auto
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+
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+ -INDIGO-01000000002D
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+
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+ 14 15 0 0 0 0 0 0 0 0999 V2000
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+ M UNS 2 3 1 11 1
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+ M SUB 2 4 3 5 4
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+ M RBC 2 4 3 7 -2
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+ M END
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+
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+ molfile-saving-mode: 2000
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+
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+ -INDIGO-01000000002D
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+
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+ 14 15 0 0 0 0 0 0 0 0999 V2000
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+ M UNS 2 3 1 11 1
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+ M SUB 2 4 3 5 4
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+ M RBC 2 4 3 7 -2
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+ M END
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+
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+ molfile-saving-mode: 3000
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+
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+ -INDIGO-01000000002D
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+
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+ 0 0 0 0 0 0 0 0 0 0 0 V3000
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+ M V30 BEGIN CTAB
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+ M V30 COUNTS 14 15 0 0 0
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+ M V30 BEGIN ATOM
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+ M V30 1 C 12.45 -4.86795 0.0 0
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+ M V30 2 C 11.95 -5.73395 0.0 0
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+ M V30 3 C 12.45 -6.59995 0.0 0 UNSAT=1
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+ M V30 4 C 13.45 -6.59995 0.0 0 SUBST=3 RBCNT=3
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+ M V30 5 C 13.95 -5.73395 0.0 0 SUBST=4
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+ M V30 6 C 13.45 -4.86795 0.0 0
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+ M V30 7 C 13.95 -7.46605 0.0 0 RBCNT=-2
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+ M V30 8 C 14.95 -7.46605 0.0 0
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+ M V30 9 C 15.45 -6.60005 0.0 0
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+ M V30 10 C 14.95 -5.73395 0.0 0 HCOUNT=2
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+ M V30 11 C 16.45 -6.60005 0.0 0 UNSAT=1
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+ M V30 12 C 13.45 -8.33205 0.0 0
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+ M V30 13 C 16.95 -5.73405 0.0 0 HCOUNT=1
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+ M V30 14 C 17.95 -5.73405 0.0 0
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+ M V30 END ATOM
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+ M V30 BEGIN BOND
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+ M V30 1 1 1 6
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+ M V30 2 1 1 2
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+ M V30 3 1 2 3
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+ M V30 4 2 3 4
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+ M V30 5 1 4 5
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+ M V30 6 1 5 6
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+ M V30 9 1 8 9
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+ M V30 10 1 9 10
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+ M V30 11 1 10 5
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+ M V30 12 1 9 11
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+ M V30 13 1 7 12
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+ M V30 14 2 11 13
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+ M V30 15 1 13 14
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+ M V30 END BOND
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+ M V30 END CTAB
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M END
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OK
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