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bandaid to prevent exception from bubbling up during structure parsing
adding some data files for unit tests, omitted earlier.
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53 changes: 53 additions & 0 deletions
53
src/test/resources/mols/calcium benzoate monohydrate confusing.mol
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Calcium benzoate monohydrate | ||
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22 18 0 0 0 0 0 0 0 0999 V2000 | ||
7.5718 -14.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.6141 -14.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.5949 -14.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.6141 -16.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.5718 -16.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.5974 -16.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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10.8128 -16.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
11.6604 -14.9905 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 | ||
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7.5718 -14.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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8.5949 -14.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
9.6141 -16.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.5718 -16.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.5974 -16.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
10.6373 -14.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
11.6604 -14.9905 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 | ||
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16 14 2 0 0 0 0 | ||
20 22 2 0 0 0 0 | ||
20 21 1 0 0 0 0 | ||
20 15 1 0 0 0 0 | ||
M CHG 4 8 -1 10 2 12 -1 21 -1 | ||
M STY 1 1 MUL | ||
M SLB 1 1 1 | ||
M SAL 1 15 1 2 3 4 5 6 7 8 9 14 15 16 17 18 19 | ||
M SAL 1 2 20 21 | ||
M SPA 1 9 1 2 3 4 5 6 7 8 9 | ||
M SDI 1 4 6.8840 -17.4493 6.8840 -12.4871 | ||
M SDI 1 4 12.3692 -12.4871 12.3692 -17.4493 | ||
M SMT 1 2 | ||
M END |
53 changes: 53 additions & 0 deletions
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src/test/resources/mols/calcium benzoate monohydrate-18.mol
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ACCLDraw05242413082D | ||
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20 18 0 0 0 0 0 0 0 0999 V2000 | ||
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8.1158 -14.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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7.0927 -16.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.1184 -16.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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18 20 2 0 0 0 0 | ||
18 19 1 0 0 0 0 | ||
18 13 1 0 0 0 0 | ||
M CHG 3 8 -1 10 2 19 -1 | ||
M ISO 1 11 18 | ||
M STY 1 1 MUL | ||
M SLB 1 1 1 | ||
M SAL 1 15 1 2 3 4 5 6 7 8 9 12 13 14 15 16 17 | ||
M SAL 1 3 18 19 20 | ||
M SPA 1 9 1 2 3 4 5 6 7 8 9 | ||
M SDI 1 4 6.4049 -17.4493 6.4049 -12.4871 | ||
M SDI 1 4 11.8902 -12.4871 11.8902 -17.4493 | ||
M SMT 1 2 | ||
M END |
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ACCLDraw05242410442D | ||
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17 19 2 0 0 0 0 | ||
17 18 1 0 0 0 0 | ||
17 12 1 0 0 0 0 | ||
M CHG 3 8 -1 10 2 18 -1 | ||
M STY 1 1 MUL | ||
M SLB 1 1 1 | ||
M SAL 1 15 1 2 3 4 5 6 7 8 9 11 12 13 14 15 16 | ||
M SAL 1 3 17 18 19 | ||
M SPA 1 9 1 2 3 4 5 6 7 8 9 | ||
M SDI 1 4 4.6337 -10.7109 4.6337 -5.7487 | ||
M SDI 1 4 10.1190 -5.7487 10.1190 -10.7109 | ||
M SMT 1 2 | ||
M END |