Package: openbabel
Version: 2.0.2-1
Severity: important
When converting some cml file, like:
https://blueobelisk.svn.sourceforge.net/svnroot/blueobelisk/structures/trunk/src/ethers/1-butoxybutane.cml
I obtain mol file containing buggy bond type, like:
1-Butoxybutane
OpenBabel0813D
27 26 0 0 0 0 0 0 0 0999 V2000
1.6892 -0.6260 1.5713 C 0 0 0 0 0
0.6265 0.3666 1.1086 C 0 0 0 0 0
0.0555 -0.1616 -0.0787 O 0 0 0 0 0
-0.9495 0.6740 -0.6323 C 0 0 0 0 0
-1.4771 -0.0301 -1.8791 C 0 0 0 0 0
2.4517 -0.7704 0.7798 H 0 0 0 0 0
2.3512 -0.1395 2.8504 C 0 0 0 0 0
1.0691 1.3632 0.9102 H 0 0 0 0 0
-0.1572 0.5035 1.8803 H 0 0 0 0 0
-0.5247 1.6668 -0.8822 H 0 0 0 0 0
-1.7593 0.8402 0.1060 H 0 0 0 0 0
-0.6513 -0.2175 -2.5945 H 0 0 0 0 0
-2.5616 0.8034 -2.5424 C 0 0 0 0 0
1.2383 -1.6256 1.7334 H 0 0 0 0 0
-1.8742 -1.0313 -1.6169 H 0 0 0 0 0
3.4093 -1.1091 3.3262 C 0 0 0 0 0
1.5870 0.0039 3.6402 H 0 0 0 0 0
2.8007 0.8603 2.6866 H 0 0 0 0 0
-3.1043 0.1197 -3.7769 C 0 0 0 0 0
-2.1610 1.8020 -2.8084 H 0 0 0 0 0
-3.3837 0.9947 -1.8242 H 0 0 0 0 0
2.9860 -2.1011 3.5330 H 0 0 0 0 0
3.8863 -0.7568 4.2496 H 0 0 0 0 0
4.2014 -1.2431 2.5775 H 0 0 0 0 0
-3.5400 -0.8598 -3.5387 H 0 0 0 0 0
-2.3188 -0.0471 -4.5260 H 0 0 0 0 0
-3.8894 0.7210 -4.2527 H 0 0 0 0 0
1 2 1 0 0 0
1 6 1 0 0 0
1 7 1 0 0 0
1 14 1 0 0 0
2 3 1 0 0 0
2 8 1 0 0 0
2 9 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
4 10 1 0 0 0
4 11 1 0 0 0
5 12 1 0 0 0
5 13 1 0 0 0
5 15 1 0 0 0
7 16 1 0 0 0
7 17 1 0 0 0
7 18 1 0 0 0
13 19 14 0 0 0
13 20 1 0 0 0
13 21 1 0 0 0
16 22 1 0 0 0
16 23 1 0 0 0
16 24 1 0 0 0
19 25 1 0 0 0
19 26 1 0 0 0
19 27 1 0 0 0
M END
-- System Information:
Debian Release: 4.0
APT prefers stable
APT policy: (500, 'stable')
Architecture: i386 (i686)
Shell: /bin/sh linked to /bin/bash
Kernel: Linux 2.6.18-4-686
Locale: LANG=fr_FR.UTF-8, LC_CTYPE=fr_FR.UTF-8 (charmap=UTF-8)
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