diff options
Diffstat (limited to 'java/resources/renumbered.sdf')
| -rw-r--r-- | java/resources/renumbered.sdf | 120 |
1 files changed, 0 insertions, 120 deletions
diff --git a/java/resources/renumbered.sdf b/java/resources/renumbered.sdf deleted file mode 100644 index 32a9738..0000000 --- a/java/resources/renumbered.sdf +++ /dev/null @@ -1,120 +0,0 @@ -phenanzone.mol2
- -ISIS- 3D
-null
- 26 27 0 0 0 0 0 0 0 0 1 V2000
- 0.0250 1.3500 -0.3100 N 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0280 -0.0120 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2640 -0.4070 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0740 0.7460 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3090 1.8170 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2500 0.7680 0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1250 2.1790 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1500 -0.9190 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5430 5.7950 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8330 4.9810 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4250 3.6620 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7230 3.1530 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4320 3.9740 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8430 5.2920 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5800 -1.4250 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9900 1.5400 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3480 2.8750 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8910 2.7360 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8520 -1.9540 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9570 -0.6600 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4930 -0.7990 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8590 6.8280 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3800 5.3780 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6530 3.0260 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8870 3.5810 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6180 5.9310 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 7 1 0 0 0 0
- 1 2 4 0 0 0 0
- 1 5 4 0 0 0 0
- 2 8 1 0 0 0 0
- 2 3 4 0 0 0 0
- 3 15 1 0 0 0 0
- 3 4 4 0 0 0 0
- 4 5 4 0 0 0 0
- 4 6 2 0 0 0 0
- 5 12 4 0 0 0 0
- 7 17 1 0 0 0 0
- 7 16 1 0 0 0 0
- 7 18 1 0 0 0 0
- 8 20 1 0 0 0 0
- 8 19 1 0 0 0 0
- 8 21 1 0 0 0 0
- 9 22 1 0 0 0 0
- 9 10 4 0 0 0 0
- 9 14 4 0 0 0 0
- 10 23 1 0 0 0 0
- 10 11 4 0 0 0 0
- 11 24 1 0 0 0 0
- 11 12 4 0 0 0 0
- 12 13 4 0 0 0 0
- 13 25 1 0 0 0 0
- 13 14 4 0 0 0 0
- 14 26 1 0 0 0 0
-M END
-
-$$$$
-antipyrin.mol2
- -ISIS- 3D
-null
- 26 27 0 0 0 0 0 0 0 0 1 V2000
- -0.0170 1.3940 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0540 2.2380 -0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0710 2.1740 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4860 -0.7130 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5040 -0.6870 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6320 3.5310 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3930 1.8070 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6580 3.5220 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1770 1.7880 0.6570 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4660 -2.0940 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5210 -2.0680 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4680 4.7590 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8810 -0.1850 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8800 -0.1390 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0140 2.6830 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8400 1.2090 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3220 1.2100 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2710 4.3920 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8450 -2.6450 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9110 -2.6000 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8680 5.6500 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3290 4.7570 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8100 4.7580 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0550 -3.8510 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 4 0 0 0 0
- 1 4 4 0 0 0 0
- 1 3 4 0 0 0 0
- 2 5 4 0 0 0 0
- 2 6 4 0 0 0 0
- 3 8 1 0 0 0 0
- 3 7 4 0 0 0 0
- 4 9 4 0 0 0 0
- 4 10 2 0 0 0 0
- 5 15 1 0 0 0 0
- 5 11 4 0 0 0 0
- 6 16 1 0 0 0 0
- 6 12 4 0 0 0 0
- 7 13 1 0 0 0 0
- 7 9 4 0 0 0 0
- 8 18 1 0 0 0 0
- 8 17 1 0 0 0 0
- 8 19 1 0 0 0 0
- 9 20 1 0 0 0 0
- 11 21 1 0 0 0 0
- 11 14 4 0 0 0 0
- 12 22 1 0 0 0 0
- 12 14 4 0 0 0 0
- 13 24 1 0 0 0 0
- 13 23 1 0 0 0 0
- 13 25 1 0 0 0 0
- 14 26 1 0 0 0 0
-M END
-
-$$$$
\ No newline at end of file |