REMARK  Name = BDB031252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.471  -1.752  -0.435  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.372  -2.025  -1.260  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.270  -1.160  -1.228  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.118  -1.217  -1.958  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.634  -0.214  -1.541  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        0.051   0.567  -0.614  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        1.265  -0.067  -0.368  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.364   0.231   0.457  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.461  -0.640   0.416  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.379   1.782  -0.022  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -0.287   1.941   1.370  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -0.724   3.141   1.878  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.222   4.159   1.066  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -1.574   5.225   1.885  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -1.965   6.111   1.607  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -1.304   4.879   3.217  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -1.493   5.571   4.201  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -1.310   4.035  -0.299  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -0.776   3.580   3.195  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -0.498   3.078   4.022  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -0.879   2.821  -0.850  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        7.062  -2.922  -0.394  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.869  -2.128  -0.246  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.964  -1.123  -0.304  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.628  -2.686  -0.481  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.454  -3.869  -0.745  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -2.081  -0.045  -1.919  0.00  0.00    +0.113 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.038  -0.441  -0.812  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.290  -1.789  -0.514  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.166  -2.144   0.516  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -4.779  -1.154   1.282  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.533   0.189   1.005  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -3.675   0.544  -0.038  0.00  0.00    +0.007 A 
BRANCH  29  34
ATOM     34  O   LIG    1       -2.731  -2.753  -1.309  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -1.846  -3.599  -0.573  0.00  0.00    +0.277 C 
ENDBRANCH  29  34
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5