REMARK  Name = BDB029552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.113   0.146  -1.741  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.091   0.095  -0.514  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -0.095   0.011   0.221  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.075   0.283   1.654  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        1.084  -0.425   2.348  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.372  -0.135   1.635  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        3.590  -0.140   2.317  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        4.787   0.101   1.631  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.806   0.316   0.248  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.574   0.339  -0.421  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.369   0.102   0.255  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.958   0.631  -0.478  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1        5.852   0.393  -1.462  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.297   0.359   0.062  0.00  0.00    +0.098 C 
ATOM     15  C   LIG    1        7.816   1.519   0.920  0.00  0.00    +0.182 C 
ATOM     16  O   LIG    1        8.658   2.353   0.100  0.00  0.00    -0.378 OA
ATOM     17  C   LIG    1        8.667   1.800  -1.219  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1        8.315   0.338  -1.064  0.00  0.00    +0.052 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  19
ATOM     19  C   LIG    1       -1.364   0.214  -0.497  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.763  -1.030  -1.311  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.867  -2.171  -0.445  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.019  -2.194   0.035  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.072  -0.824  -2.109  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.224  -0.269  -1.361  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.698  -1.217  -0.328  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.014  -0.821   0.316  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.873   0.108  -0.295  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.091   0.437   0.314  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.469  -0.173   1.509  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.631  -1.111   2.107  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.452   0.789  -1.569  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.411  -1.436   1.514  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.327   0.033  -2.289  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7