REMARK  Name = BDB007704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.224   1.256   0.763  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.650  -0.006   1.215  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.705  -0.338   1.108  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        1.127  -1.418   1.537  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.689   0.584   0.456  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.259   1.370  -0.553  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1        2.199   2.137  -1.109  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1        3.494   2.175  -0.766  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1        3.886   1.356   0.221  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        3.002   0.533   0.877  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1        5.234   1.433   0.552  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1        5.638   2.102  -0.103  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        5.994   0.179   0.624  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        7.376   0.479   1.203  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        8.200  -0.801   1.309  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        7.801  -1.804   0.374  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        7.432  -1.261  -0.888  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        6.133  -0.474  -0.759  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.585  -1.033   1.695  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.932  -2.144   0.676  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.795  -2.953   0.337  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.030  -2.635   0.864  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.567  -1.628  -0.633  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.764  -0.781  -0.465  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.088  -0.128  -1.752  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.376   0.667  -1.721  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.363   0.401  -0.756  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.561   1.128  -0.766  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.790   2.095  -1.745  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.822   2.347  -2.715  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.103  -0.617   0.323  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.623   1.635  -2.706  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.932  -1.554  -0.012  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8