REMARK  Name = BDB021310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010   0.260  -0.174  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.235   1.175  -0.938  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.125   1.182  -0.702  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.669   2.170  -1.489  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.609   2.686  -2.198  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.739   0.319   0.224  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.016  -0.502   0.936  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.567   2.063  -1.857  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.346  -0.509   0.715  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.907   2.298   0.943  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.374   1.049   0.251  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.474   0.112  -0.275  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.006  -1.017  -0.909  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        4.385  -1.180  -0.999  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.213  -0.208  -0.448  0.00  0.00    +0.056 A 
ATOM     16  N   LIG    1        4.724   0.894   0.175  0.00  0.00    -0.255 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.724  -0.354  -0.529  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  N   LIG    1        7.254  -1.560   0.147  0.00  0.00    -0.303 NA
ATOM     19  C   LIG    1        7.078  -1.457   1.600  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1        8.675  -1.716  -0.167  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1       -0.649   3.740  -3.167  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.716   4.594  -3.950  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.103   0.351   0.406  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.308  -0.132   1.280  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.967  -0.202  -0.632  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.400   0.077  -0.291  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.139  -0.723   0.575  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.743  -1.925   1.349  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.125  -2.397   1.803  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.037  -1.276   1.776  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.453  -0.402   0.897  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.087   0.713   0.387  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.368   1.526  -0.488  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.044   1.206  -0.816  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.380   2.016  -1.654  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7