REMARK  Name = BDB056713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.585   0.207  -0.034  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.513  -0.688  -0.129  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.367  -0.386   0.617  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.266   0.759   1.403  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.958   0.826   2.018  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.619  -0.249   1.629  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.343   1.656   1.465  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.843  -1.018   0.786  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.231  -2.262   0.167  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.502   1.372   0.732  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.695  -0.053  -0.804  0.00  0.00    -0.438 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -6.039   0.065  -2.345  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -6.059  -0.269  -0.886  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.886  -0.312  -0.130  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1       -4.852  -0.627   1.187  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1       -6.032  -0.894   1.784  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1       -7.248  -0.871   1.126  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -7.260  -0.555  -0.229  0.00  0.00    +0.010 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        3.013  -0.597   2.040  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.816  -0.806   0.873  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.440   0.276   0.314  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.422  -0.043  -0.627  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.116   0.972  -1.292  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        5.854   2.314  -1.004  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.868   2.633  -0.071  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.158   1.617   0.579  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.143   0.589  -2.285  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        7.937  -0.318  -2.114  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.071   1.321  -3.417  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        6.283   1.893  -3.477  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7