REMARK  Name = BDB015754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.749  -1.273  -0.788  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.342  -0.304  -0.075  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.574   0.742   0.274  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.750   0.837  -0.107  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.261  -0.207  -0.850  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.523  -1.260  -1.211  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.262   1.805   1.052  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.616   2.461   2.037  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.227   3.451   2.794  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.452   4.107   3.836  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.555   3.827   2.601  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.143   4.698   3.235  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.282   3.090   1.538  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.660   2.142   0.826  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.582  -0.206  -1.310  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        2.659  -1.066  -1.859  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.577  -0.208  -0.241  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.959  -0.349  -0.820  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        5.863  -1.266  -0.294  0.00  0.00    +0.115 A 
ATOM     20  N   LIG    1        7.131  -1.427  -0.737  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        7.523  -0.633  -1.757  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        6.708   0.317  -2.348  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.410   0.463  -1.867  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -1.492  -2.369  -1.210  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.945  -2.066  -2.622  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.884  -2.498  -1.186  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.655  -2.609  -0.517  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.613  -3.030   0.815  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.437  -3.182   1.441  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -3.785  -3.305   1.509  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.014  -3.173   0.864  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.063  -2.773  -0.476  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6