REMARK  Name = BDB058537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.060   0.366   0.566  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -3.712   0.001   1.753  0.00  0.00    +0.280 A 
ATOM      3  O   LIG    1       -4.903  -0.285   1.848  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -2.840   0.011   2.873  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -1.530   0.358   2.787  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1       -0.947   0.276   4.059  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.953  -0.133   4.917  0.00  0.00    +0.085 A 
ATOM      8  N   LIG    1       -0.923   0.723   1.598  0.00  0.00    -0.214 NA
ATOM      9  N   LIG    1       -3.107  -0.291   4.180  0.00  0.00    -0.355 N 
ATOM     10  H   LIG    1       -4.010  -0.580   4.534  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.689   0.708   0.536  0.00  0.00    +0.199 A 
ENDROOT
BRANCH  11  12
ATOM     12  N   LIG    1       -1.131   1.041  -0.683  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1       -1.592   0.657  -1.496  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1        0.290   1.300  -0.934  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1        0.846   2.520  -0.161  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1        2.269   2.812  -0.428  0.00  0.00    -0.303 NA
ATOM     17  C   LIG    1        2.485   3.423  -1.734  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1        3.095   1.609  -0.217  0.00  0.00    +0.092 C 
ATOM     19  C   LIG    1        2.628   0.360  -1.001  0.00  0.00    +0.035 C 
ATOM     20  C   LIG    1        1.147   0.050  -0.715  0.00  0.00    +0.033 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.520  -0.842  -0.732  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        4.294  -1.384  -1.770  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.123  -2.484  -1.542  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.191  -3.056  -0.274  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.432  -2.528   0.767  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.602  -1.428   0.541  0.00  0.00    +0.004 A 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH   1  27
ATOM     27  C   LIG    1       -3.909   0.430  -0.615  0.00  0.00    +0.155 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -4.916  -3.015  -2.173  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -4.947  -1.691  -1.482  0.00  0.00    -0.033 C 
ATOM     30  C   LIG    1       -3.874  -0.899  -1.323  0.00  0.00    -0.010 C 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5