REMARK  Name = BDB057595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.083   0.386  -1.564  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.277   0.426  -1.804  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -0.372   0.967  -3.125  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.573   1.162  -3.978  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1        0.827   1.305  -3.620  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        1.686   0.932  -2.656  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        2.683   1.055  -2.785  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.288  -0.045  -0.864  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1       -2.516   0.574  -0.998  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.550   1.377  -1.610  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.003  -0.879  -0.009  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.702   0.299  -0.288  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -4.794   1.143  -0.516  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -6.015   0.936   0.140  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -6.166  -0.121   1.035  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -5.075  -0.969   1.258  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -3.855  -0.762   0.602  0.00  0.00    +0.025 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -7.356  -0.401   1.736  0.00  0.00    -0.286 N 
ATOM     19  H   LIG    1       -7.325  -1.201   2.356  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -8.550   0.296   1.680  0.00  0.00    +0.214 C 
ATOM     21  O   LIG    1       -8.787   1.302   1.021  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -9.602  -0.302   2.581  0.00  0.00    +0.109 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  23
ATOM     23  N   LIG    1        1.808  -0.066  -0.516  0.00  0.00    -0.221 N 
ATOM     24  H   LIG    1        1.296  -0.552   0.230  0.00  0.00    +0.176 HD
BRANCH  23  26
ATOM     25  C   LIG    1        3.711  -0.547   0.553  0.00  0.00    +0.138 C 
ATOM     26  N   LIG    1        3.166  -0.023  -0.501  0.00  0.00    -0.189 NA
BRANCH  25  30
ATOM     27  C   LIG    1        7.947  -0.690   1.126  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        7.075  -1.214   2.086  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.691  -1.167   1.897  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.175  -0.589   0.737  0.00  0.00    -0.005 A 
ATOM     31  C   LIG    1        6.038  -0.062  -0.227  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        7.423  -0.113  -0.032  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1       10.203  -0.287   0.495  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        9.273  -0.803   1.440  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  25  30
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 7