REMARK  Name = BDB032250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.094  -0.534   0.552  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1       -1.016  -1.328  -0.538  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.137  -2.003  -0.763  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        1.260  -1.944   0.051  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        1.154  -1.154   1.192  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.022  -0.446   1.442  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -4.717   0.461   0.371  0.00  0.00    +0.137 C 
ATOM      8  N   LIG    1       -4.516   1.910   0.524  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -3.292   2.463   0.844  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -3.377   3.772   0.971  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -4.682   4.078   0.707  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1       -2.055   1.626   0.962  0.00  0.00    +0.180 C 
ATOM     13  N   LIG    1       -2.283   0.177   0.805  0.00  0.00    -0.306 N 
ATOM     14  C   LIG    1       -5.401   2.943   0.416  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1       -3.382  -0.162  -0.119  0.00  0.00    +0.135 C 
BRANCH   7  17
ATOM     16  C   LIG    1       -7.250   0.079   0.341  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1       -5.956   0.014  -0.491  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -5.849  -1.426  -1.024  0.00  0.00    +0.043 C 
BRANCH  17  19
ATOM     19  O   LIG    1       -6.141   0.847  -1.643  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -5.324   0.853  -2.171  0.00  0.00    +0.210 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  13
BRANCH   4  21
ATOM     21  C   LIG    1        2.476  -2.767  -0.279  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.715  -2.214   0.266  0.00  0.00    -0.339 N 
ATOM     23  H   LIG    1        4.358  -2.957   0.526  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.416  -1.168  -0.367  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        5.692  -0.763   0.145  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.407   0.294  -0.476  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        7.681   0.641   0.044  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1        8.237   0.033   1.105  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.534  -0.943   1.699  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        5.817   0.959  -1.571  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        4.553   0.609  -2.031  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.290  -1.366   1.268  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        3.859  -0.434  -1.425  0.00  0.00    +0.023 A 
BRANCH  27  34
ATOM     34  N   LIG    1        8.447   1.673  -0.523  0.00  0.00    -0.343 N 
ATOM     35  H   LIG    1        7.928   2.543  -0.463  0.00  0.00    +0.144 HD
ATOM     36  H   LIG    1        8.624   1.461  -1.499  0.00  0.00    +0.144 HD
ENDBRANCH  27  34
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7