REMARK  Name = BDB022222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.485   1.796   0.762  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.986   1.821   0.497  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.744   2.962   0.827  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.121   2.974   0.550  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.752   1.866  -0.022  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -3.032   0.714  -0.333  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.113   4.074   1.459  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.885   5.254   1.813  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        0.227   4.048   1.796  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        0.819   4.952   2.385  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.660   0.708  -0.060  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.000   2.854   1.402  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.202   0.688   0.335  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1        0.776   0.182  -0.445  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.617   0.288   0.462  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        3.534   1.276  -0.265  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1        2.990   0.115   1.938  0.00  0.00    +0.041 C 
BRANCH  15  20
ATOM     18  N   LIG    1        3.982  -1.715  -0.217  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        4.726  -1.311   0.335  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.745  -1.105  -0.260  0.00  0.00    +0.236 C 
ATOM     21  O   LIG    1        1.787  -1.607  -0.855  0.00  0.00    -0.273 OA
BRANCH  18  23
ATOM     22  C   LIG    1        3.794  -4.138   0.130  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        4.211  -3.018  -0.807  0.00  0.00    +0.101 C 
ENDBRANCH  18  23
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -3.725  -0.401  -0.847  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1       -4.550  -0.133  -1.381  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.407  -1.780  -0.870  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1       -3.820  -2.607  -1.931  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1       -3.439  -3.944  -1.908  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1       -3.881  -5.071  -3.135  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1       -2.693  -4.510  -0.934  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1       -2.300  -3.702   0.067  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -2.628  -2.358   0.141  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -4.611  -2.092  -3.002  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1       -5.271  -1.625  -3.835  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 7