REMARK  Name = BDB022290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.472  -1.377  -0.348  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.014  -1.296  -0.080  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.678  -2.501   0.011  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        2.051  -2.462   0.283  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.716  -1.239   0.439  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.032  -0.027   0.329  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.026  -3.712  -0.191  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.669  -4.986  -0.117  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -1.385  -3.707  -0.509  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1       -1.985  -4.756  -0.736  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1        0.658  -0.071   0.058  0.00  0.00    +0.036 A 
ATOM     12  N   LIG    1       -2.057  -2.515  -0.556  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.219  -0.218  -0.375  0.00  0.00    -0.319 N 
ATOM     14  H   LIG    1       -1.890   0.586   0.157  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.143  -0.187  -1.878  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.690  -0.214  -0.420  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.237   1.009   0.327  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -3.340   1.932   0.762  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -3.845   2.989   1.427  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.185   3.162   1.675  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -6.011   2.172   1.198  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -5.569   1.093   0.526  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.666   1.226   0.422  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.041   1.963   0.745  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.008   1.620   0.211  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.575   2.693   0.926  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        5.911   2.997   0.701  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        6.734   4.280   1.505  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.711   2.330  -0.161  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        6.153   1.310  -0.837  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.832   0.923  -0.682  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        3.799   3.448   1.857  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        3.114   4.037   2.586  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6