REMARK  Name = BDB000052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.898  -1.204   0.350  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.495  -1.465   0.198  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1        0.994  -2.756  -0.041  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        2.460  -2.934  -0.191  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1        3.288  -1.722  -0.086  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        2.692  -0.551   0.150  0.00  0.00    +0.141 A 
ATOM      7  O   LIG    1        3.016  -4.006  -0.388  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1        0.099  -3.823  -0.125  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -1.268  -3.603   0.037  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1        1.337  -0.374   0.306  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -1.751  -2.311   0.275  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.654   2.932  -0.739  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1       -3.646   1.490  -0.971  0.00  0.00    -0.303 NA
ATOM     14  C   LIG    1       -3.894   0.729   0.260  0.00  0.00    +0.116 C 
ATOM     15  C   LIG    1       -2.696   0.625   1.230  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1       -1.342   0.255   0.566  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -1.178   1.075  -0.735  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -2.420   1.027  -1.627  0.00  0.00    +0.085 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -2.995  -0.209   2.349  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1       -3.157  -1.097   1.975  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   6  21
ATOM     21  C   LIG    1        3.476   0.686   0.265  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1        3.518   1.653  -0.753  0.00  0.00    +0.052 A 
ATOM     23 CL   LIG    1        2.661   1.453  -2.243  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.277   2.817  -0.592  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        4.999   3.027   0.582  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.965   2.075   1.599  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.208   0.911   1.442  0.00  0.00    +0.013 A 
ENDBRANCH   6  21
BRANCH   8  28
ATOM     28  O   LIG    1        0.536  -5.094  -0.356  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1       -0.201  -5.724  -0.367  0.00  0.00    +0.292 HD
ENDBRANCH   8  28
BRANCH  11  30
ATOM     30  O   LIG    1       -3.092  -2.164   0.476  0.00  0.00    -0.506 OA
ATOM     31  H   LIG    1       -3.558  -2.961   0.166  0.00  0.00    +0.292 HD
ENDBRANCH  11  30
TORSDOF 5