REMARK  Name = BDB002205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.270   0.332   0.125  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.921  -0.842  -0.238  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        2.318  -0.931  -0.170  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        3.112   0.148   0.260  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        2.440   1.323   0.624  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        1.042   1.413   0.557  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.642   0.006   0.321  0.00  0.00    -0.001 C 
ATOM      8  C   LIG    1        5.033  -1.131   1.310  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1        6.558  -1.336   1.348  0.00  0.00    -0.007 C 
ATOM     10  C   LIG    1        7.233  -0.039   1.809  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        6.899   1.097   0.832  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        7.405   0.732  -0.571  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        6.729  -0.560  -1.045  0.00  0.00    -0.007 C 
ATOM     14  C   LIG    1        7.057  -1.696  -0.061  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        5.374   1.298   0.792  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        5.204  -0.351  -1.088  0.00  0.00    +0.015 C 
BRANCH  11  17
ATOM     17  O   LIG    1        7.531   2.289   1.280  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        7.346   2.990   0.632  0.00  0.00    +0.210 HD
ENDBRANCH  11  17
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -2.079  -0.415  -0.298  0.00  0.00    +0.241 C 
ATOM     20  N   LIG    1       -1.130   0.509   0.088  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -1.458   1.418   0.386  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -1.887  -1.562  -0.679  0.00  0.00    -0.270 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.513  -0.634  -0.512  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -3.461   0.140  -0.206  0.00  0.00    +0.068 C 
BRANCH  23  28
ATOM     25  C   LIG    1       -8.607   0.613  -0.297  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1       -8.217  -0.654   0.183  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1       -6.872  -1.040   0.105  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1       -5.906  -0.178  -0.432  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -6.306   1.070  -0.919  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -7.645   1.465  -0.849  0.00  0.00    +0.050 A 
BRANCH  25  32
ATOM     31  C   LIG    1      -10.375   2.175  -0.679  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -9.941   0.917  -0.184  0.00  0.00    -0.491 OA
ENDBRANCH  25  32
BRANCH  26  33
ATOM     33  O   LIG    1       -9.219  -1.434   0.705  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1       -8.872  -2.729   1.174  0.00  0.00    +0.277 C 
ENDBRANCH  26  33
ENDBRANCH  23  28
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7