REMARK  Name = BDB058562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.102  -0.693  -0.589  0.00  0.00    +0.199 A 
ATOM      2  N   LIG    1       -2.328  -0.916  -1.251  0.00  0.00    -0.282 N 
ATOM      3  C   LIG    1       -2.424  -1.833  -2.374  0.00  0.00    +0.155 C 
ATOM      4  C   LIG    1       -3.518  -0.297  -0.850  0.00  0.00    +0.279 A 
ATOM      5  O   LIG    1       -4.605  -0.430  -1.405  0.00  0.00    -0.265 OA
ATOM      6  C   LIG    1       -3.337   0.524   0.294  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1       -2.136   0.684   0.908  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1       -2.288   1.546   2.002  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -3.625   1.901   2.028  0.00  0.00    +0.085 A 
ATOM     10  N   LIG    1       -4.257   1.270   0.978  0.00  0.00    -0.355 N 
ATOM     11  H   LIG    1       -5.240   1.337   0.742  0.00  0.00    +0.166 HD
ATOM     12  N   LIG    1       -0.975   0.070   0.467  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.018  -1.319  -1.096  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1       -0.021  -1.601  -2.065  0.00  0.00    +0.149 HD
BRANCH  13  18
ATOM     15  C   LIG    1        3.842   1.756  -0.696  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        3.251   0.476  -0.318  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1        1.892   0.330  -0.858  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1        1.393  -1.116  -0.630  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1        1.608  -1.606   0.810  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        2.100  -0.489   1.726  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        3.293   0.278   1.140  0.00  0.00    +0.084 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 2