REMARK  Name = BDB026460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.813  -0.115   0.967  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.745  -1.000   0.804  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.781  -2.209   0.951  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.622  -0.241   0.443  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.035   1.109   0.123  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.349   1.254   0.873  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.033  -0.495   1.651  0.00  0.00    +0.146 C 
BRANCH   7  14
ATOM      8  C   LIG    1        7.849   2.645   1.779  0.00  0.00    +0.152 C 
ATOM      9  N   LIG    1        7.079   1.665   1.032  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        7.470   1.340  -0.266  0.00  0.00    +0.251 A 
ATOM     11  O   LIG    1        8.428   1.829  -0.859  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        6.639   0.317  -0.955  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        5.584  -0.228  -0.336  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.225   0.165   1.013  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        5.982   1.078   1.644  0.00  0.00    +0.094 A 
ENDBRANCH   7  14
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.551  -0.844  -0.188  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.337  -1.746   0.779  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.758  -0.989   1.924  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.947  -0.553   2.246  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.546  -2.433   0.101  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.439  -1.561  -0.697  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.151  -0.593   0.167  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.254   0.172  -0.541  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.801  -0.292  -1.749  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.835   0.424  -2.367  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.343   1.580  -1.776  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.817   2.033  -0.568  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.232  -1.523  -2.403  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.780   1.332   0.048  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.424  -2.382  -1.423  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7