REMARK  Name = BDB012907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.434   0.296  -0.782  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.258  -0.370  -0.391  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.044  -0.418  -1.191  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.050  -0.799  -0.257  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.376  -1.663   0.765  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.046  -1.140   0.795  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.325   0.966  -1.879  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.881   0.677   0.256  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.391  -0.058   1.249  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.093  -0.294   1.051  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.510  -0.840   1.718  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.688   0.278  -0.087  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.835   0.908  -0.598  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.976   0.273  -0.935  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        7.288   1.119   0.141  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        8.026   0.834   1.425  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -1.828   0.253   0.201  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -0.757   1.088   0.031  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -2.590   1.282   0.649  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -2.316   2.487   0.736  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.003   0.917   1.110  0.00  0.00    +0.083 C 
ATOM     22  C   LIG    1       -5.005   1.532   0.117  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -4.959   1.916   1.553  0.00  0.00    +0.022 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.960   0.529  -0.399  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1       -6.244   0.432  -1.746  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.126  -0.529  -2.198  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.738  -1.407  -1.329  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.462  -1.326   0.030  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.587  -0.370   0.463  0.00  0.00    +0.004 A 
ENDBRANCH  22  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5