REMARK  Name = BDB020961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.987   0.467   0.661  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.621   1.283   1.846  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.418   2.208   1.575  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.737   1.484   1.030  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -2.014   1.844   1.429  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -2.221   2.790   2.189  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.428   0.376   0.115  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        1.008   0.445  -0.438  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        6.120   0.095  -0.213  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        5.646  -0.301   1.034  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        4.280  -0.196   1.326  0.00  0.00    +0.063 A 
ATOM     12 CL   LIG    1        3.785  -0.831   2.863  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1        3.355   0.334   0.388  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        3.880   0.730  -0.859  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.243   0.625  -1.157  0.00  0.00    +0.015 A 
BRANCH   9  18
ATOM     16  C   LIG    1        9.417  -0.610  -1.959  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        8.000  -0.653  -1.641  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        7.570   0.007  -0.492  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        8.329   0.547   0.309  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        7.215  -1.641  -2.369  0.00  0.00    +0.132 C 
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -3.156   1.003   0.887  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.504   1.453   1.441  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.566   0.462   1.042  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -5.854  -0.512   1.959  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -5.405  -0.527   2.865  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.782  -1.498   1.742  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -7.030  -2.355   2.582  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -7.455  -1.459   0.433  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -7.091  -0.436  -0.446  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -7.716  -0.375  -1.693  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -8.684  -1.320  -2.051  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -9.036  -2.336  -1.161  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -8.421  -2.410   0.088  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -6.122   0.530  -0.123  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5