REMARK  Name = BDB022294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.276  -1.012   0.514  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.132  -1.108   0.042  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.479  -2.038  -0.955  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.807  -2.088  -1.407  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.786  -1.246  -0.869  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.475  -0.348   0.149  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.512  -2.926  -1.469  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.163  -3.906  -2.485  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.811  -2.919  -0.989  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.696  -3.686  -1.364  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        1.145  -0.291   0.590  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.152  -1.901   0.026  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.583   0.003   1.424  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.161   0.882   1.118  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -2.771   1.099   3.237  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -2.939   0.304   1.935  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.836   1.063   0.983  0.00  0.00    +0.171 A 
ATOM     18  N   LIG    1       -5.096   0.697   0.703  0.00  0.00    -0.153 NA
ATOM     19  N   LIG    1       -5.448   1.623  -0.205  0.00  0.00    -0.255 N 
ATOM     20  C   LIG    1       -6.754   1.599  -0.807  0.00  0.00    +0.174 C 
ATOM     21  C   LIG    1       -4.438   2.502  -0.434  0.00  0.00    +0.219 A 
ATOM     22  N   LIG    1       -3.400   2.180   0.302  0.00  0.00    -0.218 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.417   0.534   0.712  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        3.200   0.773   1.679  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.621   1.071   0.203  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        5.699   1.387   1.052  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.867   1.870   0.475  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        8.263   2.299   1.389  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        7.043   2.057  -0.853  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        6.003   1.750  -1.648  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.798   1.258  -1.175  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        5.599   1.218   2.466  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        5.462   1.081   3.610  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6