REMARK  Name = BDB044082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.231  -3.384  -0.742  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        0.403  -2.169  -0.528  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.728  -0.827  -0.478  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -0.476  -0.093  -0.236  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.513  -1.016  -0.140  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1       -0.948  -2.264  -0.302  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1       -1.466  -3.130  -0.239  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.042  -0.285  -0.679  0.00  0.00    +0.079 A 
ATOM      9  N   LIG    1        3.083  -0.545   0.240  0.00  0.00    -0.213 N 
ATOM     10  C   LIG    1        4.367   0.001   0.040  0.00  0.00    +0.174 A 
ATOM     11  C   LIG    1        5.133  -0.433   1.098  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        4.280  -1.210   1.887  0.00  0.00    +0.156 A 
ATOM     13  N   LIG    1        4.663   0.794  -1.035  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        3.686   1.023  -1.857  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1        3.047  -1.286   1.390  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1        2.305   0.501  -1.742  0.00  0.00    +0.048 A 
BRANCH  11  17
ATOM     17  C   LIG    1        6.505  -0.143   1.334  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.623   0.067   1.566  0.00  0.00    -0.191 NA
ENDBRANCH  11  17
ENDBRANCH   3   8
BRANCH   4  19
ATOM     19  C   LIG    1       -0.649   1.347  -0.100  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -1.488   2.051  -0.973  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.631   3.434  -0.847  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -0.934   4.120   0.147  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.097   3.426   1.019  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        0.046   2.043   0.897  0.00  0.00    +0.008 A 
ENDBRANCH   4  19
BRANCH   5  25
ATOM     25  C   LIG    1       -2.944  -0.867   0.129  0.00  0.00    -0.001 A 
ATOM     26  C   LIG    1       -3.391  -0.132   1.234  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.757   0.003   1.492  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.689  -0.596   0.647  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.257  -1.329  -0.456  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.890  -1.465  -0.714  0.00  0.00    +0.010 A 
ENDBRANCH   5  25
TORSDOF 4