REMARK  Name = BDB007541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.298   1.651  -0.565  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.664   0.498  -0.370  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.193  -0.581  -0.273  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.234  -1.428   0.098  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.110   0.156  -0.195  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.382  -1.134   0.112  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1        3.683  -1.397   0.255  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1        4.685  -0.514   0.134  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1        4.374   0.758  -0.153  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        3.064   1.140  -0.341  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1        5.369   1.722  -0.332  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1        5.112   2.574   0.161  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.794   1.409  -0.159  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        7.170   1.017   1.270  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        8.670   0.767   1.349  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        9.080  -0.208   0.391  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        8.823   0.201  -0.953  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        7.333   0.412  -1.185  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1       -1.634  -0.400  -0.150  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.383  -1.661  -0.594  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.002  -1.982  -1.944  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.068  -1.712  -2.032  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.919  -1.525  -0.546  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.435  -1.279   0.814  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.813   0.134   1.025  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.136   0.550   0.416  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.121  -0.403   0.102  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.348   0.014  -0.431  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.606   1.369  -0.630  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.640   2.317  -0.302  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.837  -1.873   0.277  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.413   1.911   0.221  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.591  -2.134   1.137  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8