REMARK  Name = BDB022201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.155   1.268  -0.027  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.678   1.267  -0.221  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.029   2.483  -0.245  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.426   2.457  -0.385  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.117   1.250  -0.532  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.434   0.037  -0.565  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.682   3.717  -0.160  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.035   4.982  -0.201  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.064   3.753  -0.101  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.737   4.783  -0.088  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.041   0.065  -0.406  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.770   2.459  -0.018  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.798   0.044   0.134  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -2.223  -0.644   0.612  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.522   0.036   1.869  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -4.218  -0.184   0.388  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.529  -1.566  -0.134  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -4.104  -2.826   0.585  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -5.566  -2.486   0.467  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.077  -1.210  -0.697  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.478  -1.907  -1.139  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.394  -1.627  -0.401  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.010  -2.669  -1.123  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        5.325  -3.000  -0.810  0.00  0.00    +0.149 A 
ATOM     25 CL   LIG    1        6.198  -4.253  -1.609  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.070  -2.392   0.141  0.00  0.00    -0.227 NA
ATOM     27  CA  LIG    1        5.452  -1.392   0.820  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        4.147  -0.982   0.589  0.00  0.00    +0.059 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.307  -3.371  -2.149  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        2.688  -3.925  -2.959  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
BRANCH  27  31
ATOM     31  C   LIG    1        6.277  -0.724   1.867  0.00  0.00    +0.355 C 
ATOM     32  O   LIG    1        5.894   0.199   2.563  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  OXT LIG    1        7.509  -1.280   1.934  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1        7.588  -2.005   1.272  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8