REMARK  Name = BDB014399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.016  -1.659  -0.379  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -0.108  -1.885   0.565  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.117  -0.719   0.561  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.680  -0.514  -0.792  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.868  -0.985  -1.919  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.644  -0.903  -1.601  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.955  -0.073  -0.897  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.625  -0.030  -2.094  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.253  -0.320  -2.983  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.889   0.458  -1.878  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.935   0.699  -0.509  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -6.120   1.217   0.055  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -7.214   1.469  -0.791  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -7.122   1.210  -2.154  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.180   1.460  -2.937  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.962   0.699  -2.738  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -3.729   0.360   0.073  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -6.244   1.503   1.502  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -7.282   1.948   1.978  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -5.158   1.254   2.288  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.290   0.896   1.892  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.210   1.450   3.277  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.481  -0.124   1.288  0.00  0.00    +0.144 A 
ATOM     24  N   LIG    1        4.558  -0.607   0.023  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1        3.394  -1.108  -0.471  0.00  0.00    +0.155 A 
ATOM     26  C   LIG    1        2.176  -1.135   0.225  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1        2.131  -0.658   1.487  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1        3.292  -0.168   2.003  0.00  0.00    +0.146 A 
BRANCH  23  31
ATOM     29  C   LIG    1        6.800   1.063  -0.224  0.00  0.00    +0.132 C 
ATOM     30  N   LIG    1        6.796   0.872   1.218  0.00  0.00    -0.302 N 
ATOM     31  C   LIG    1        5.707   0.402   1.962  0.00  0.00    +0.266 C 
ATOM     32  O   LIG    1        5.714   0.402   3.195  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1        8.050   1.139   1.904  0.00  0.00    +0.132 C 
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 4