REMARK  Name = BDB007100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.880  -0.696  -2.187  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.888  -1.432  -0.999  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.334  -1.695  -0.347  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.675  -2.367   0.869  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        2.054  -2.322   0.996  0.00  0.00    +0.020 A 
ATOM      6  N   LIG    1        2.553  -1.626  -0.091  0.00  0.00    -0.339 N 
ATOM      7  C   LIG    1        2.925  -2.879   2.070  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.282  -3.002   1.817  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.520  -1.241  -0.928  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.531  -0.531  -2.144  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        0.309  -0.260  -2.766  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -2.900   0.692  -2.333  0.00  0.00    -0.305 N 
ATOM     13  H   LIG    1       -3.792   0.791  -2.796  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -2.158  -0.350  -2.836  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -2.528  -0.976  -3.826  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -2.671   1.451  -1.107  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.201   0.747   0.133  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -2.566   0.964   1.367  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.013   0.325   2.525  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.111  -0.531   2.467  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.761  -0.749   1.254  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.310  -0.113   0.094  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -4.718   3.021  -1.367  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.205   2.894  -1.240  0.00  0.00    +0.024 C 
ENDBRANCH  16  24
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1        3.966  -1.352  -0.355  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.385   0.075  -0.066  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1        3.760   0.874   0.909  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.202   2.177   1.158  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.282   2.687   0.439  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        5.827   4.289   0.743  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        5.929   1.904  -0.517  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        5.486   0.603  -0.763  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6