REMARK  Name = BDB051888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.514  -0.718  -0.966  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        1.476  -0.011  -0.464  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.228  -0.434  -0.726  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -0.036  -1.519  -1.465  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.010  -2.198  -1.961  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        2.316  -1.842  -1.741  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.418   0.836   0.012  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        6.219  -0.545  -0.084  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.951  -1.052  -0.399  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.856  -0.199  -0.634  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.084   1.187  -0.540  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        5.348   1.701  -0.229  0.00  0.00    +0.014 A 
BRANCH   7  15
ATOM     13  N   LIG    1        8.591   0.647   1.103  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        8.207  -0.141   1.608  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1        7.745   1.424   0.342  0.00  0.00    +0.245 C 
ATOM     16  O   LIG    1        8.036   2.556  -0.024  0.00  0.00    -0.270 OA
BRANCH  13  17
ATOM     17  C   LIG    1        9.847   1.209   1.571  0.00  0.00    +0.223 C 
BRANCH  17  19
ATOM     18  N   LIG    1       11.336  -0.633   2.716  0.00  0.00    -0.195 NA
ATOM     19  C   LIG    1       10.695   0.190   2.207  0.00  0.00    +0.081 C 
ENDBRANCH  17  19
ENDBRANCH  13  17
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  N   LIG    1       -0.780   0.344  -0.164  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -0.356   1.095   0.361  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.176   0.286  -0.173  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -2.915  -0.677  -0.855  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -4.319  -0.678  -0.818  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -5.045   0.277  -0.093  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -4.299   1.253   0.574  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -2.895   1.254   0.539  0.00  0.00    +0.025 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -6.448   0.236  -0.098  0.00  0.00    -0.326 N 
ATOM     29  C   LIG    1       -7.013  -1.029   0.438  0.00  0.00    +0.133 C 
ATOM     30  C   LIG    1       -8.525  -1.086   0.166  0.00  0.00    +0.178 C 
ATOM     31  O   LIG    1       -9.208   0.059   0.701  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -8.684   1.260   0.111  0.00  0.00    +0.178 C 
ATOM     33  C   LIG    1       -7.184   1.417   0.401  0.00  0.00    +0.133 C 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7