REMARK  Name = BDB053733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743   0.773   0.305  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.919   2.084  -0.143  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.320   2.725  -0.133  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.236   1.849   0.447  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        2.539   2.167   0.656  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.918   3.385   0.229  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        2.095   4.298  -0.405  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.758   3.973  -0.608  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.572   0.635   0.736  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.117  -0.521   1.425  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.175  -1.202   0.831  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.732  -0.921  -0.496  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.242  -2.205  -1.176  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.250  -2.958  -0.408  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.113  -3.954  -0.580  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.161  -2.693   1.039  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.754  -2.337   1.546  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.630  -0.892   2.493  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.156   2.674  -0.559  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.427   4.018  -0.261  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.634   4.599  -0.658  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.579   3.846  -1.350  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.322   2.508  -1.641  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.118   1.920  -1.245  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.783  -0.072   0.367  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.784  -1.918   2.283  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -2.128  -2.347   1.005  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -1.614  -1.412   0.098  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -1.005  -1.828  -1.095  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -0.859  -3.187  -1.369  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -1.331  -4.126  -0.456  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -1.956  -3.702   0.716  0.00  0.00    +0.130 A 
ATOM     33  F   LIG    1       -2.405  -4.633   1.571  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4