REMARK  Name = BDB049678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.210  -1.026  -1.413  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.800   0.171  -1.006  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.028   0.973  -0.199  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.045   0.743  -0.133  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.946   0.458  -1.349  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.420   2.158   0.466  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -0.434   2.835   1.194  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -0.733   4.009   1.896  0.00  0.00    +0.061 A 
ATOM      9 CL   LIG    1        0.548   4.772   2.770  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -2.033   4.520   1.877  0.00  0.00    +0.059 A 
ATOM     11 CL   LIG    1       -2.479   5.962   2.716  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -3.022   3.849   1.160  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.717   2.673   0.462  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        1.996   0.014   0.507  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        2.463  -0.655  -0.709  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.277  -0.794  -1.651  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.114  -1.560  -1.014  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.247  -1.839   0.492  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.122  -0.873   1.299  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        3.108   0.490   1.357  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.053   1.525   0.724  0.00  0.00    +0.015 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.322   3.769  -0.390  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        3.341   2.780   0.222  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  C   LIG    1       -2.030  -1.908  -2.256  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.601  -3.079  -1.487  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.583  -2.873  -0.507  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.106  -3.949   0.211  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.656  -5.243  -0.043  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.684  -5.462  -1.017  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.159  -4.387  -1.737  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7