REMARK  Name = BDB064529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.276  -2.003  -0.311  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        0.366  -2.431   0.690  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -0.923  -1.834   0.726  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.832  -2.251   1.725  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.500  -3.220   2.671  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.243  -3.800   2.642  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.278  -0.836  -0.229  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -0.344  -0.449  -1.202  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.677  -3.411   1.668  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.919  -1.027  -1.248  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        5.128  -2.258  -0.573  0.00  0.00    +0.219 A 
ATOM     12  N   LIG    1        3.814  -1.835  -0.424  0.00  0.00    -0.162 N 
ATOM     13  C   LIG    1        2.634  -2.598  -0.429  0.00  0.00    +0.282 C 
ATOM     14  O   LIG    1        2.743  -3.821  -0.538  0.00  0.00    -0.265 OA
ATOM     15  N   LIG    1        3.785  -0.496  -0.217  0.00  0.00    -0.139 NA
ATOM     16  C   LIG    1        5.088  -0.165  -0.229  0.00  0.00    +0.202 A 
ATOM     17  N   LIG    1        5.934  -1.237  -0.435  0.00  0.00    -0.192 NA
BRANCH  16  18
ATOM     18  C   LIG    1        5.598   1.203  -0.045  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1        4.686   2.198   0.125  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        5.158   3.451   0.294  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        6.504   3.775   0.300  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        7.426   2.751   0.123  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.971   1.446  -0.053  0.00  0.00    +0.031 A 
ENDBRANCH  16  18
BRANCH  11  24
ATOM     24  N   LIG    1        5.490  -3.531  -0.825  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1        4.806  -4.279  -0.691  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.451  -3.798  -0.641  0.00  0.00    +0.145 HD
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  N   LIG    1       -2.563  -0.241  -0.172  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1       -2.508   1.187   0.216  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -3.941   1.738   0.393  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -4.773   1.558  -0.820  0.00  0.00    -0.296 NA
ATOM     31  C   LIG    1       -4.787   0.124  -1.195  0.00  0.00    +0.103 C 
ATOM     32  C   LIG    1       -3.365  -0.445  -1.398  0.00  0.00    +0.120 C 
BRANCH  30  33
ATOM     33  C   LIG    1       -6.135   2.085  -0.630  0.00  0.00    +0.057 C 
ATOM     34  C   LIG    1       -6.911   2.551  -1.832  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1       -6.386   3.553  -0.846  0.00  0.00    +0.020 C 
ENDBRANCH  30  33
ENDBRANCH   7  27
TORSDOF 5