REMARK  Name = BDB050418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.215  -0.018  -0.711  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -0.026  -0.756  -0.838  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.245  -0.158  -0.822  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.366   1.218  -0.678  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.208   1.974  -0.537  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.056   1.365  -0.554  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.746   0.051  -0.539  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -2.451  -0.636  -0.715  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -2.631  -1.958  -1.330  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -4.138  -2.185  -1.327  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1       -4.689  -0.775  -1.435  0.00  0.00    +0.024 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -4.192  -0.013   0.925  0.00  0.00    +0.142 C 
BRANCH  12  14
ATOM     13  O   LIG    1       -3.004   0.951   2.813  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1       -3.608   1.085   1.762  0.00  0.00    +0.306 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.903   2.319   1.306  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -3.494   2.908   1.977  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  O   LIG    1        2.530   1.932  -0.629  0.00  0.00    -0.487 OA
BRANCH  17  18
ATOM     18  C   LIG    1        3.749   1.265  -0.976  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.411   0.552   0.187  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.424  -0.401  -0.022  0.00  0.00    +0.049 A 
ATOM     21 CL   LIG    1        5.957  -0.827  -1.611  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        6.046  -1.039   1.056  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        5.669  -0.722   2.357  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1        6.434  -1.506   3.683  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        4.683   0.230   2.591  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.064   0.868   1.514  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7