REMARK  Name = BDB038845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.300   0.883  -0.191  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1        0.721   0.171   0.449  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1        0.933  -1.187   0.560  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1        0.338  -1.894   0.152  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1        2.067  -1.454   1.289  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        2.622  -0.227   1.645  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        3.812  -0.220   2.402  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        4.398  -1.435   2.773  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.818  -2.645   2.401  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.640  -2.679   1.649  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        1.780   0.798   1.106  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.829   2.198   1.120  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1        0.802   2.847   0.454  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.235   2.240  -0.193  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1       -4.746  -1.606  -2.945  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.613  -0.943  -2.220  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -3.333  -1.270  -0.890  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -2.259  -0.672  -0.224  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -1.429   0.256  -0.875  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -1.720   0.576  -2.210  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.792  -0.022  -2.878  0.00  0.00    +0.004 A 
ENDBRANCH   1  19
BRANCH  13  22
ATOM     22  C   LIG    1        0.772   4.338   0.409  0.00  0.00    +0.355 C 
ATOM     23  O   LIG    1        1.607   5.073   0.905  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  OXT LIG    1       -0.323   4.765  -0.268  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1       -0.837   3.974  -0.559  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  13  22
TORSDOF 3