REMARK  Name = BDB007071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.593   1.001   0.545  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.213  -0.196  -0.170  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.146  -1.010   0.492  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -2.737  -2.131  -0.090  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.379  -2.460  -1.410  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.979  -3.586  -1.990  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.895  -4.334  -1.259  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -4.183  -3.930   0.032  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -1.450  -1.667  -2.100  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.627  -2.852   0.627  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.876  -0.552  -1.485  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -2.520  -0.700   1.784  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -3.161  -1.408   2.017  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        2.849  -0.094   2.989  0.00  0.00    +0.165 A 
ATOM     15  C   LIG    1        3.026   0.110   1.614  0.00  0.00    +0.204 A 
ATOM     16  C   LIG    1        1.922   0.402   0.787  0.00  0.00    +0.170 A 
ATOM     17  C   LIG    1        0.650   0.619   1.356  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        0.507   0.454   2.749  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        1.592   0.100   3.553  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.675  -1.489   3.450  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.845  -0.410   3.876  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        4.289   0.042   1.074  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1        4.885   1.342   1.102  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
BRANCH  16  24
ATOM     24  O   LIG    1        2.043   0.573  -0.573  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        2.721  -0.502  -1.226  0.00  0.00    +0.277 C 
ENDBRANCH  16  24
ENDBRANCH   1  17
BRANCH   1  26
ATOM     26  N   LIG    1       -0.282   2.136  -0.333  0.00  0.00    -0.318 N 
ATOM     27  H   LIG    1        0.542   1.958  -0.904  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -1.259   2.699  -1.127  0.00  0.00    +0.121 A 
ATOM     29  N   LIG    1       -0.880   2.976  -2.390  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1       -1.788   3.543  -3.220  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -3.083   3.861  -2.853  0.00  0.00    +0.077 A 
ATOM     32 CL   LIG    1       -4.137   4.573  -4.012  0.00  0.00    -0.080 Cl
ATOM     33  C   LIG    1       -3.453   3.580  -1.544  0.00  0.00    +0.064 A 
ATOM     34 CL   LIG    1       -5.034   3.929  -0.938  0.00  0.00    -0.082 Cl
ATOM     35  C   LIG    1       -2.534   3.000  -0.669  0.00  0.00    +0.065 A 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 8