REMARK  Name = BDB053720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.928   3.628  -2.374  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -2.311   2.792  -1.388  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.422   1.811  -1.101  0.00  0.00    +0.153 A 
ATOM      4  C   LIG    1       -0.181   1.651  -1.711  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.470   0.559  -1.081  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -0.428   0.008  -0.173  0.00  0.00    +0.220 A 
ATOM      7  C   LIG    1        0.172   2.550  -2.734  0.00  0.00    +0.017 A 
ATOM      8  N   LIG    1       -1.560   0.831  -0.115  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -0.733   3.553  -3.067  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.799   0.058  -1.403  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.710  -0.058  -0.359  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.567   0.604   0.942  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.926   0.878   1.611  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.796  -0.299   1.754  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.603  -0.770   2.637  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.621  -1.267   0.655  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.001  -0.688  -0.627  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.090  -0.229  -2.562  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   8  19
ATOM     19  C   LIG    1       -2.676   0.679   0.780  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.952   1.135   0.419  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.035   0.985   1.290  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.858   0.383   2.533  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.596  -0.068   2.906  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.510   0.078   2.038  0.00  0.00    +0.026 A 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1       -3.972   4.714  -1.998  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1       -2.766   4.663  -2.753  0.00  0.00    -0.480 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  O   LIG    1       -0.361  -1.110   0.564  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1        0.076  -2.310   0.045  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1        0.701  -3.210   0.929  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        0.922  -2.866   2.375  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        1.165  -4.441   0.437  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        0.968  -4.787  -0.899  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        0.306  -3.905  -1.744  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1        0.097  -4.252  -3.021  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -0.147  -2.675  -1.286  0.00  0.00    +0.085 A 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5