REMARK  Name = BDB063171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230   1.990   0.508  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -1.411   0.655   0.106  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.263  -0.088  -0.208  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.014   0.456  -0.056  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1        1.179   1.722   0.373  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        0.071   2.451   0.650  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -2.186   4.236   0.749  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -3.028   4.796   0.822  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -1.410   4.660   0.261  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1       -2.383   2.881   0.795  0.00  0.00    +0.245 C 
ATOM     11  O   LIG    1       -3.501   2.432   1.021  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   2  12
ATOM     12  N   LIG    1       -2.701   0.094  -0.031  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.453   0.777   0.140  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.192  -1.223   0.141  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.448  -1.578  -0.396  0.00  0.00    +0.062 A 
ATOM     16 CL   LIG    1       -5.421  -0.412  -1.228  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1       -4.949  -2.879  -0.275  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -4.203  -3.852   0.385  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.964  -3.522   0.927  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.464  -2.221   0.804  0.00  0.00    +0.025 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   4  21
ATOM     21  N   LIG    1        2.115  -0.343  -0.409  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        2.034  -1.294  -0.071  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.474  -0.018  -0.420  0.00  0.00    +0.128 A 
ATOM     24  N   LIG    1        4.316  -1.036  -0.129  0.00  0.00    -0.198 NA
ATOM     25  C   LIG    1        5.630  -0.761  -0.162  0.00  0.00    +0.214 A 
ATOM     26  C   LIG    1        6.191   0.456  -0.476  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        5.321   1.487  -0.792  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.947   1.246  -0.769  0.00  0.00    +0.044 A 
BRANCH  25  29
ATOM     29  O   LIG    1        6.423  -1.817   0.149  0.00  0.00    -0.492 OA
ATOM     30  H   LIG    1        5.744  -2.495   0.310  0.00  0.00    +0.294 HD
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 6