REMARK  Name = BDB028400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.357  -3.774  -1.765  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.482  -3.500  -0.647  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.926  -2.287  -0.296  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.225  -2.542   0.877  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.417  -3.918   1.123  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.154  -4.508   0.183  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.501  -1.560   1.659  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        1.480  -0.755   1.071  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.166   0.203   1.833  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.878   0.366   3.194  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        2.623   1.413   3.932  0.00  0.00    +0.274 A 
ATOM     12  N   LIG    1        3.525   2.154   3.206  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.033   2.874   3.710  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.827   2.002   1.896  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        2.472   1.643   5.125  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        0.904  -0.453   3.787  0.00  0.00    +0.055 A 
ATOM     17 CL   LIG    1        0.449  -0.379   5.453  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        3.205   1.078   1.228  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        0.225  -1.410   3.019  0.00  0.00    +0.029 A 
BRANCH  18  20
ATOM     20  C   LIG    1        3.585   0.924  -0.244  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.531   1.503  -1.080  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1        2.417   2.485  -0.817  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        2.852   1.522  -2.047  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   4   7
BRANCH   3  24
ATOM     24  C   LIG    1       -1.134  -1.045  -1.050  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -1.931   0.014  -0.564  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -2.092   1.211  -1.320  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.434   1.316  -2.571  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -1.570   2.481  -3.343  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -2.348   3.549  -2.901  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.000   3.467  -1.678  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -0.646   0.256  -3.037  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.875   2.315  -0.898  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -0.495  -0.909  -2.287  0.00  0.00    +0.012 A 
BRANCH  25  34
ATOM     34  C   LIG    1       -2.597  -0.124   0.704  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1       -3.140  -0.220   1.726  0.00  0.00    -0.191 NA
ENDBRANCH  25  34
ENDBRANCH   3  24
TORSDOF 5