   AM1 T=9000                                                                    
   3,4 Dihydroisocumarin (Prof. Bestmann, Chiuz 1993, S.123) [Spurenpheromon Ameise]                      
   Naturstoff                                                                     
  XX     .000000  0     .000000  0     .000000  0   0   0   0
  XX    1.000000  0    1.000000  0     .000000  0   1   0   0
   C    1.398951  1   91.342300  1    2.000000  0   2   1   0     -.0328
   C    1.354375  1   80.425880  1  -60.654000  1   2   1   3     -.1461
   C    1.422580  1   66.899520  1 -126.216897  1   2   1   3      .3448
   O    1.488602  1   74.997574  1  174.360876  1   2   1   3     -.2501
   C    1.430566  1  104.233105  1  123.043470  1   2   1   3     -.0156
   C    1.490623  1   88.858760  1   61.743241  1   2   1   3     -.1664
   C    2.780453  1   96.702053  1   -2.139254  1   2   1   3     -.1391
   C    2.738461  1   86.051126  1  -62.254693  1   2   1   3     -.0606
   O    2.653469  1   67.194502  1 -127.870216  1   2   1   3     -.2994
  XX    2.562838  1   90.095415  1  178.127745  1   2   1   3
   H    2.484733  1   92.429403  1  122.602425  1   2   1   3      .1166
   H    2.174143  1   60.362056  1   65.386186  1   2   1   3      .1140
   C    1.395547  1  119.987733  1    -.153156  1   9   3   4     -.0941
   C    1.394736  1  119.725622  1     .090619  1  10   4   3     -.1448
   H    1.100075  1  119.868585  1  179.921821  1   9   3   4      .1391
   H    1.102276  1  119.324915  1 -179.598415  1  10   4   3      .1592
   H    1.100715  1  119.699685  1  180.046328  1  15   9   3      .1379
   H    1.100118  1  119.809379  1  179.974001  1  16  10   4      .1417
   H    1.919738  1  138.830334  1  132.717044  1   2   1   3      .0875
   H    2.462623  1  105.551048  1   59.904974  1   2   1   3      .1080
   0     .000000  0     .000000  0     .000000  0   0  0  0




