REMARK  Name = BDB022308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506   4.619   0.939  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.024   3.360   0.441  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.795   2.191   0.429  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.270   0.981  -0.057  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.105  -0.153  -0.118  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.433  -0.128   0.326  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.929   1.076   0.823  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.136   0.916  -0.513  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.845   2.052  -0.537  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        2.125   2.220   0.875  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.321   3.345  -0.051  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -2.059   4.327  -0.097  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        3.212  -1.293   0.207  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.651  -2.143   0.204  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        4.606  -1.484   0.071  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        5.233  -2.646   0.559  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        6.612  -2.748   0.433  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1        7.511  -4.111   0.986  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        7.401  -1.803  -0.127  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        6.785  -0.700  -0.587  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        5.417  -0.498  -0.506  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.476  -3.691   1.171  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.814  -4.519   1.645  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1       -1.633  -0.319  -0.947  0.00  0.00    -0.333 N 
ATOM     25  H   LIG    1       -2.233  -0.134  -1.766  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.523  -1.170  -0.086  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -2.437  -2.600  -0.656  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -2.019  -1.203   1.369  0.00  0.00    +0.038 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -3.978  -0.691  -0.251  0.00  0.00    +0.064 A 
ATOM     30  N   LIG    1       -4.325  -0.281  -1.509  0.00  0.00    -0.258 NA
ATOM     31  C   LIG    1       -5.590   0.148  -1.710  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1       -6.552   0.193  -0.718  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -6.196  -0.230   0.556  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -4.899  -0.679   0.797  0.00  0.00    +0.025 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6