REMARK  Name = BDB007069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133   0.579   0.873  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.160  -0.211   0.069  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.140  -0.288  -1.333  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.068  -1.023  -2.071  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.069  -1.721  -1.370  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.998  -2.458  -2.118  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        3.907  -2.479  -3.505  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        2.888  -1.760  -4.102  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        3.115  -1.664   0.032  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        1.974  -1.038  -3.418  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        2.170  -0.918   0.741  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        0.176   0.403  -2.039  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        0.384   0.195  -2.978  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1       -3.643  -1.579   1.196  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -3.487  -0.598   0.198  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -2.277   0.102   0.097  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -1.208  -0.152   0.975  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -1.382  -1.140   1.958  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -2.585  -1.843   2.069  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.055  -3.204   2.234  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.857  -2.219   1.231  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1       -4.569  -0.398  -0.625  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.440   0.572  -1.655  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  N   LIG    1       -0.043   1.945   0.358  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1       -0.079   1.895  -0.665  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        0.983   2.843   0.632  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        1.589   3.389  -0.437  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        2.585   4.281  -0.218  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        3.010   4.676   1.036  0.00  0.00    +0.077 A 
ATOM     30 CL   LIG    1        4.293   5.814   1.173  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        2.357   4.118   2.129  0.00  0.00    +0.064 A 
ATOM     32 CL   LIG    1        2.770   4.522   3.758  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        1.328   3.197   1.929  0.00  0.00    +0.065 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7