REMARK  Name = BDB019558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.566   0.629   0.796  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.266  -0.539   1.120  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.529  -0.777   0.565  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -3.096   0.170  -0.298  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.416   1.357  -0.615  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.147   1.575  -0.059  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.248  -1.987   0.911  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.742  -2.902  -0.003  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1       -3.733  -2.999  -1.478  0.00  0.00    +0.087 C 
ATOM     10  O   LIG    1       -4.357  -3.929   0.652  0.00  0.00    -0.467 OA
ATOM     11  C   LIG    1       -4.248  -3.680   1.981  0.00  0.00    +0.196 A 
ATOM     12  C   LIG    1       -3.568  -2.506   2.195  0.00  0.00    +0.050 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     13  N   LIG    1        1.559  -0.172   1.685  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        1.288  -1.083   1.344  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        0.785   0.919   1.353  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        1.164   2.081   1.456  0.00  0.00    -0.270 OA
BRANCH  13  17
ATOM     17  C   LIG    1        2.939  -0.018   2.088  0.00  0.00    +0.140 C 
BRANCH  17  22
ATOM     18  C   LIG    1        4.928   0.695  -1.078  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        5.507  -0.554  -1.313  0.00  0.00    +0.091 A 
ATOM     20  C   LIG    1        5.275  -1.633  -0.456  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        4.448  -1.457   0.654  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        3.862  -0.207   0.911  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1        4.105   0.863   0.034  0.00  0.00    +0.051 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.690   2.951  -1.788  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.237   1.655  -2.002  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1        5.905  -2.793  -0.814  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        5.755  -3.907   0.057  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  17  22
ENDBRANCH  13  17
ENDBRANCH   1  15
BRANCH   5  28
ATOM     28  C   LIG    1       -3.041   2.387  -1.523  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.147   3.070  -0.877  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -4.040   4.037   0.082  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -5.221   4.491   0.437  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -6.122   3.791  -0.323  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -5.476   2.906  -1.153  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8