REMARK  Name = BDB048744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.564  -1.982  -2.235  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.771  -2.049  -1.744  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.398  -2.971  -2.554  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1       -0.464  -3.370  -3.462  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -0.568  -4.033  -4.223  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        0.725  -2.779  -3.301  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.828   1.445   0.500  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        3.492   1.039   0.636  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        2.978   0.191  -0.346  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        3.722  -0.261  -1.426  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1        2.973  -1.084  -2.226  0.00  0.00    -0.226 NA
ATOM     12  C   LIG    1        1.776  -1.141  -1.669  0.00  0.00    +0.160 A 
ATOM     13  C   LIG    1        5.056   0.148  -1.553  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        1.748  -0.389  -0.521  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1        0.971  -0.306   0.112  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1        5.598   1.004  -0.581  0.00  0.00    +0.048 A 
BRANCH   7  18
ATOM     17  C   LIG    1        6.608   2.723   1.431  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.260   2.277   1.501  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1       -1.406  -1.323  -0.695  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -2.354  -1.817   0.119  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.959  -1.004   1.182  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.877   0.050   0.946  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -4.364   0.774   2.057  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.273   1.832   1.875  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.712   2.180   0.599  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.251   1.474  -0.506  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.917   0.404   3.328  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1       -3.050  -0.602   3.577  0.00  0.00    -0.262 NA
ATOM     29  C   LIG    1       -4.347   0.422  -0.336  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -2.598  -1.280   2.501  0.00  0.00    +0.119 A 
ENDBRANCH  20  21
ENDBRANCH   2  19
TORSDOF 4