REMARK  Name = BDB014385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.318   1.820   1.403  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1        0.707   2.893   0.606  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -0.516   2.371  -0.176  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.529   1.762   0.717  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.057   1.452   2.088  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.381   0.892   2.069  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.524   0.993   0.206  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -2.999   1.184  -1.069  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -2.675   1.891  -1.708  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.998   0.277  -1.310  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.105  -0.442  -0.122  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -5.064  -1.473  -0.030  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -5.878  -1.736  -1.145  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -5.737  -0.991  -2.311  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -6.527  -1.264  -3.358  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.798   0.035  -2.429  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -3.189   0.027   0.800  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -5.238  -2.279   1.199  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -6.069  -3.177   1.261  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -4.438  -1.983   2.264  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.549  -2.504   3.121  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -3.761  -1.224   2.219  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.712  -0.021  -0.078  0.00  0.00    +0.073 A 
ATOM     24  C   LIG    1        4.042  -0.473   1.031  0.00  0.00    +0.129 A 
ATOM     25  N   LIG    1        2.922   0.108   1.519  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1        2.451   1.203   0.893  0.00  0.00    +0.218 A 
ATOM     27  N   LIG    1        3.057   1.722  -0.189  0.00  0.00    -0.222 NA
ATOM     28  C   LIG    1        4.174   1.108  -0.646  0.00  0.00    +0.129 A 
BRANCH  23  32
ATOM     29  C   LIG    1        7.314  -2.639  -0.885  0.00  0.00    +0.128 C 
ATOM     30  N   LIG    1        6.189  -1.948  -0.301  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1        5.461  -2.522   0.102  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        5.930  -0.634  -0.635  0.00  0.00    +0.247 C 
ATOM     33  O   LIG    1        6.643   0.024  -1.385  0.00  0.00    -0.270 OA
ENDBRANCH  23  32
ENDBRANCH   1  26
TORSDOF 4