From cf945cf7b9b1aab62a55d783d2a029d9374b61ba Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 2 Apr 2012 09:29:06 +0200 Subject: Added Java --- java/resources/test2.mol | 46 ++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 46 insertions(+) create mode 100644 java/resources/test2.mol (limited to 'java/resources/test2.mol') diff --git a/java/resources/test2.mol b/java/resources/test2.mol new file mode 100644 index 0000000..1c08b41 --- /dev/null +++ b/java/resources/test2.mol @@ -0,0 +1,46 @@ + + TestMolecule 2 + + 16 18 0 0 0 0 0 0 0 0 1 V2000 + 5.8468 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5999 -2.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8468 -4.7659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3151 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0852 -2.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3151 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0852 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9851 -4.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5535 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5999 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7919 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5535 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7467 -4.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7919 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5535 -6.5351 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0388 -5.3472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 2 1 1 0 0 0 0 + 3 1 1 0 0 0 0 + 4 7 1 0 0 0 0 + 5 1 2 0 0 0 0 + 6 5 1 0 0 0 0 + 7 3 1 0 0 0 0 + 8 2 1 0 0 0 0 + 9 4 1 0 0 0 0 + 10 3 1 0 0 0 0 + 11 9 2 0 0 0 0 + 12 6 1 0 0 0 0 + 13 8 2 0 0 0 0 + 14 12 2 0 0 0 0 + 15 9 1 0 0 0 0 + 16 11 1 0 0 0 0 + 8 10 1 0 0 0 0 + 6 4 2 0 0 0 0 + 14 11 1 0 0 0 0 +M END +> (1111) +1111 + +> (1111) +123 + +$$$$ -- cgit v1.2.3