REMARK  Name = BDB014664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.213   0.109  -1.380  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.006  -0.769  -0.548  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.213  -0.928   0.085  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.242  -1.449   0.955  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.268   0.066  -0.059  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.609  -0.495   0.435  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        2.420  -1.003   1.772  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        3.281  -1.344   2.072  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.723   0.575   0.444  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.010   1.206  -0.854  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        4.981   2.310  -0.711  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.422   1.869  -0.551  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.847   0.607  -1.008  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        8.192   0.238  -0.882  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        9.116   1.122  -0.326  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.702   2.379   0.111  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.848  -0.371  -1.576  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.363   2.753  -0.004  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.493   0.280  -1.891  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.045  -1.806  -0.115  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.297  -1.585  -0.760  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.296  -2.294  -0.143  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -5.249  -1.611   0.633  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1       -6.290  -2.365   1.199  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.368  -3.748   0.999  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.419  -4.400   0.217  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.386  -3.671  -0.364  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.153  -0.101   0.808  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1       -5.776   0.462   2.103  0.00  0.00    +0.089 C 
ATOM     30  N   LIG    1       -5.508   1.893   2.307  0.00  0.00    -0.315 NA
ATOM     31  H   LIG    1       -6.255   2.292   2.874  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -5.371   2.649   1.059  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.177   2.059  -0.093  0.00  0.00    +0.016 C 
ATOM     34  C   LIG    1       -5.743   0.628  -0.415  0.00  0.00    +0.011 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9