REMARK  Name = BDB014614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.039  -2.990   0.897  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.875  -2.227   1.846  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.717  -1.517   2.071  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.704  -0.837   2.819  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.309  -1.400   1.040  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.061  -0.185   0.122  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        1.177  -0.350  -0.589  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        1.434   0.524  -0.932  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.198  -0.010  -0.909  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.522   0.249  -0.320  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.574   0.014  -1.334  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.965   0.393  -0.872  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.153   1.287   0.196  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.450   1.647   0.584  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.555   1.142  -0.100  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.373   0.271  -1.171  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.962   1.804   0.959  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.085  -0.100  -1.558  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.645   1.625   0.191  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.946  -1.984   2.892  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.339  -2.273   2.339  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.736  -1.288   1.288  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        4.233  -1.343   0.008  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        3.531  -2.002  -0.314  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        4.767  -0.303  -0.708  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.596   0.347   0.200  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        6.311   1.480  -0.210  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        6.156   1.913  -1.530  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        5.314   1.245  -2.425  0.00  0.00    +0.022 A 
ATOM     30 CL   LIG    1        7.018   3.307  -2.066  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        4.594   0.113  -2.029  0.00  0.00    +0.029 A 
ATOM     32  N   LIG    1        5.561  -0.270   1.427  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8