REMARK  Name = BDB014947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.294   3.079   1.885  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.790   3.136   1.964  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.071   2.337   1.084  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.605   2.495   1.133  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.926   1.374   0.432  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.553   1.031   0.332  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.401  -0.055  -0.434  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.643  -0.431  -0.785  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.591   0.421  -0.309  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.060   0.367  -0.493  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.653   1.750  -0.143  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.241   3.864   2.793  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.839  -1.603  -1.601  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -1.508  -1.384  -3.065  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -1.308  -2.691  -3.630  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -1.075  -3.614  -2.554  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -0.972  -2.805  -1.276  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.422   1.758   0.934  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.136   2.575   1.459  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.817   1.546   1.034  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.460   0.384   0.579  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.855   0.217   0.665  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.608   1.257   1.216  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1        5.944   1.176   1.312  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        3.999   2.423   1.669  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        2.614   2.567   1.575  0.00  0.00    +0.026 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.459  -1.013   0.174  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.642  -1.565   0.621  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.828  -2.714  -0.091  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        6.934  -3.632   0.018  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        4.840  -2.968  -0.966  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        4.011  -1.933  -0.806  0.00  0.00    +0.143 A 
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4