REMARK  Name = BDB058174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.787   0.218   0.274  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.622  -0.912  -0.485  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -1.568  -2.002  -0.841  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -0.601  -3.079  -1.365  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        0.659  -2.389  -1.749  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        1.897  -3.159  -1.554  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        1.595  -4.654  -1.745  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1        0.625  -5.171  -0.813  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -0.297  -4.180  -0.326  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.629  -1.179  -1.004  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.690  -0.401  -0.800  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.464   0.683  -0.041  0.00  0.00    +0.167 A 
ATOM     13  N   LIG    1        0.274   1.010   0.511  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.714   2.240  -0.880  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -3.079   0.955  -0.124  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.026   0.537   0.844  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -1.928   1.441   2.014  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.309   1.600   2.668  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -4.290   2.067   1.728  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -4.413   1.137   0.640  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.591   1.573   0.217  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1        2.501   2.718   0.985  0.00  0.00    +0.127 A 
ATOM     23  N   LIG    1        3.530   3.560   1.244  0.00  0.00    -0.222 NA
ATOM     24  C   LIG    1        4.711   3.232   0.718  0.00  0.00    +0.213 A 
ATOM     25  N   LIG    1        4.926   2.169  -0.058  0.00  0.00    -0.222 NA
ATOM     26  C   LIG    1        3.862   1.362  -0.284  0.00  0.00    +0.127 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.773   4.080   0.951  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1        5.427   5.006   1.155  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        6.448   3.987   0.205  0.00  0.00    +0.145 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3