REMARK  Name = BDB007552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.177   0.883  -2.956  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.093   0.733  -2.156  0.00  0.00    +0.264 C 
ATOM      3  N   LIG    1       -1.067   1.186  -0.854  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -1.802   0.833  -0.246  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.333  -0.004  -2.525  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -3.233  -0.237  -1.524  0.00  0.00    -0.225 NA
ATOM      7  C   LIG    1       -4.335  -0.935  -1.864  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -4.518  -1.350  -3.191  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -3.627  -1.129  -4.192  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1       -2.521  -0.442  -3.825  0.00  0.00    +0.143 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.329  -1.204  -0.911  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.613  -2.178  -0.969  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.064  -0.769   0.469  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -6.396  -0.718   1.236  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -6.622  -2.004   2.013  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -5.600  -2.259   2.977  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -4.311  -1.737   2.654  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -4.058  -1.704   1.157  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.140   1.710  -0.238  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.089   0.580   0.191  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.415  -0.231   1.175  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.983  -1.004   1.337  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.401   1.119   0.805  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.192   2.023  -0.045  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.388   2.517   0.665  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.534   1.529   0.745  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.642   0.470  -0.176  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.730  -0.410  -0.100  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.717  -0.228   0.869  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.622   0.830   1.770  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.562   0.244  -1.205  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.540   1.707   1.706  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.609   1.441  -1.333  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8