REMARK  Name = BDB022301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.604   1.315   0.413  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.145   1.392   0.123  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.502   2.642   0.104  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.868   2.699  -0.212  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.600   1.536  -0.471  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.993   0.285  -0.418  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.230   3.822   0.434  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.429   5.119   0.433  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.557   3.767   0.824  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.222   4.738   1.179  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.626   0.232  -0.110  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.218   2.448   0.780  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.238   0.087   0.290  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.791  -0.577  -0.339  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.416   0.288  -0.846  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.676  -0.215   0.393  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.888  -1.730   0.505  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -3.065  -2.537  -0.211  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -3.292  -3.860  -0.114  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.295  -4.404   0.652  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -5.080  -3.504   1.332  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -4.906  -2.170   1.274  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.697  -0.920  -0.602  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.101  -1.677  -0.934  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.056  -1.256  -0.409  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.671  -2.272  -1.167  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.022  -2.518  -0.959  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        6.902  -3.729  -1.813  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.794  -1.847  -0.075  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        6.191  -0.882   0.640  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.851  -0.554   0.506  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        3.929  -3.030  -2.123  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        3.276  -3.631  -2.871  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6