c't freeware shareware 2000 February/CT_SW0002.ISO/mac/software/wissen/chemie/cl6setup.exe/_SETUP.1/PCB-2.SYB

Text File | 1993-07-12 | 2KB | 49 lines

  22 mol  |Benzen |PCB variation #2
   1   2  -0.1738   1.2224  -0.5649C
   2   2  -1.2067   0.6267   0.1722C
   3   2  -0.9544  -0.5590   0.8824C
   4   2   0.3240  -1.1313   0.8396C
   5   2   1.3555  -0.5458   0.0900C
   6   2   1.0992   0.6439  -0.6056C
   7   2   3.8157  -0.4165   0.4909C
   8   2   2.7198  -1.1682   0.0410C
   9   2   2.9351  -2.4707  -0.4441C
  10   2   4.2264  -3.0129  -0.4466C
  11   2   5.3138  -2.2614   0.0167C
  12   2   5.1062  -0.9569   0.4799C
  13  13  -0.3540   2.1558  -1.1249H
  14  15  -2.7636   1.4040   0.1720Cl
  15  15  -2.1762  -1.3560   1.8318Cl
  16  13   0.5301  -2.0536   1.4083H
  17  13   1.8975   1.1243  -1.1962H
  18  13   3.6654   0.6094   0.8678H
  19  15   1.6335  -3.4313  -1.0810Cl
  20  13   4.3929  -4.0373  -0.8208H
  21  15   6.9119  -2.9393   0.0103Cl
  22  13   5.9534  -0.3498   0.8415H
  23 mol
   1   2   1            2
   2   3   2            1
   3   4   3            2
   4   5   4            1
   5   6   5            2
   6   6   1            1
   7   8   7            2
   8   8   5            1
   9   9   8            1
  10  10   9            2
  11  11  10            1
  12  12  11            2
  13  12   7            1
  14  13   1            1
  15  14   2            1
  16  15   3            1
  17  16   4            1
  18  17   6            1
  19  18   7            1
  20  19   9            1
  21  20  10            1
  22  21  11            1
  23  22  12            1
   0 mol