REMARK  Name = BDB058126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.300  -1.359  -0.199  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.210  -0.479  -0.190  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.854  -0.676  -1.076  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.825  -1.728  -1.999  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.255  -2.608  -2.007  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.310  -2.427  -1.108  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  14
ATOM      7  N   LIG    1        4.295   0.228   1.390  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        4.730  -0.647   2.408  0.00  0.00    +0.275 A 
ATOM      9  O   LIG    1        5.716  -0.450   3.111  0.00  0.00    -0.265 OA
ATOM     10  C   LIG    1        3.900  -1.818   2.544  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        2.799  -2.095   1.764  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        2.244  -3.314   2.205  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.038  -3.756   3.247  0.00  0.00    +0.084 A 
ATOM     14  C   LIG    1        2.431  -1.170   0.734  0.00  0.00    +0.008 A 
ATOM     15  N   LIG    1        4.043  -2.838   3.444  0.00  0.00    -0.356 N 
ATOM     16  H   LIG    1        4.776  -2.890   4.141  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.187  -0.056   0.581  0.00  0.00    +0.098 A 
BRANCH   7  18
ATOM     18  C   LIG    1        5.074   1.440   1.135  0.00  0.00    +0.129 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.242   1.177   0.175  0.00  0.00    +0.048 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.971   3.626   0.223  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        7.097   2.361  -0.198  0.00  0.00    -0.033 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   7  18
ENDBRANCH   1  14
BRANCH   3  22
ATOM     22  C   LIG    1       -1.974   0.291  -1.068  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1       -3.286  -0.185  -0.978  0.00  0.00    -0.298 N 
ATOM     24  C   LIG    1       -3.619  -1.509  -0.454  0.00  0.00    +0.132 C 
ATOM     25  O   LIG    1       -1.686   1.482  -1.169  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.376   0.794  -1.139  0.00  0.00    +0.076 C 
ATOM     27  C   LIG    1       -5.650   0.201  -1.755  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1       -6.686   1.284  -2.065  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.640   2.470  -1.099  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -6.106   2.070   0.269  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -4.679   1.523   0.187  0.00  0.00    +0.022 C 
ENDBRANCH  23  26
ENDBRANCH   3  22
TORSDOF 6