REMARK  Name = BDB017686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.492   0.430  -1.172  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.202   1.183  -0.228  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.458   0.759   0.215  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.055  -0.407  -0.287  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.398  -0.790   0.211  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -5.047  -1.892  -0.342  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.797  -2.056  -1.313  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.460  -2.138  -0.071  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.753  -1.844   1.395  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.320  -0.420   1.759  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.975  -0.059   1.186  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.323   1.163   1.729  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.848   1.843   2.606  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.333  -1.161  -1.224  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.116   1.509   1.194  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.686   2.340   1.576  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.072  -0.745  -1.667  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.864   0.889  -1.669  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.665   0.545  -0.117  0.00  0.00    -0.283 N 
ATOM     20  C   LIG    1        4.211   1.929  -0.238  0.00  0.00    +0.125 C 
ATOM     21  C   LIG    1        2.943   1.998  -1.116  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        1.798   1.224  -0.584  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.253   0.033   0.171  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        3.652  -0.508  -0.206  0.00  0.00    +0.125 C 
BRANCH  19  27
ATOM     25  C   LIG    1        7.641  -0.634   1.158  0.00  0.00    +0.180 A 
ATOM     26  N   LIG    1        6.387  -0.925   0.682  0.00  0.00    -0.185 NA
ATOM     27  C   LIG    1        5.877   0.254   0.393  0.00  0.00    +0.291 A 
ATOM     28  O   LIG    1        6.724   1.302   0.649  0.00  0.00    -0.432 OA
ATOM     29  C   LIG    1        7.852   0.718   1.141  0.00  0.00    +0.238 A 
BRANCH  25  31
ATOM     30  N   LIG    1        9.313  -2.439   1.953  0.00  0.00    -0.189 NA
ATOM     31  C   LIG    1        8.549  -1.643   1.592  0.00  0.00    +0.122 C 
ENDBRANCH  25  31
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4