REMARK  Name = BDB007674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.629  -3.907   1.364  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.705  -3.624   0.606  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.486  -4.290   0.710  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.463  -5.019   1.415  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.894  -2.553  -0.389  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.477  -1.360   0.035  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -1.679  -0.355  -0.894  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -1.333  -0.496  -2.188  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -0.803  -1.676  -2.580  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -0.575  -2.737  -1.728  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -2.200   0.889  -0.553  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -2.220   1.407  -1.432  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -3.506   0.901   0.127  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -3.775   2.322   0.652  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -4.685   3.101  -0.289  0.00  0.00    +0.082 C 
ATOM     16  N   LIG    1       -5.996   2.469  -0.444  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -6.424   2.797  -1.310  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.965   1.007  -0.418  0.00  0.00    +0.082 C 
ATOM     19  C   LIG    1       -4.618   0.422  -0.820  0.00  0.00    +0.037 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        1.812  -3.928   0.211  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.635  -3.111   1.228  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.509  -3.706   2.529  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        1.573  -3.613   2.788  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.250  -1.614   1.300  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.397  -0.877   0.033  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        1.771   0.463   0.112  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        2.726   1.598   0.395  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.954   1.609  -0.288  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        4.836   2.680  -0.137  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.499   3.736   0.710  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.282   3.728   1.394  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.243   0.426  -1.171  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        2.391   2.666   1.232  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        3.804  -0.849  -0.430  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8