REMARK  Name = BDB022204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.852  -4.191   0.434  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.047  -2.750   0.460  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.923  -1.872   0.475  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.126  -0.479   0.477  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.003   0.367   0.390  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.315  -0.129   0.363  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.490  -1.508   0.408  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.509   0.074   0.536  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.520  -0.804   0.462  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        0.389  -2.369   0.458  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.343  -2.267   0.402  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.348  -2.972   0.329  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.383   0.782   0.238  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.153   1.706   0.602  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.683   0.645  -0.302  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.748   1.445   0.160  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        6.014   1.231  -0.376  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        7.403   2.135   0.093  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.308   0.302  -1.314  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.264  -0.456  -1.738  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        3.965  -0.325  -1.272  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.538   2.449   1.154  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.310   3.264   1.948  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        5.594  -1.482  -2.768  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        4.791  -2.261  -3.248  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        6.908  -1.434  -3.090  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        7.357  -0.728  -2.569  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  N   LIG    1       -2.649   1.454   0.678  0.00  0.00    -0.338 N 
ATOM     29  H   LIG    1       -1.932   1.854   1.277  0.00  0.00    +0.147 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.974   2.109   0.762  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -4.138   3.211   1.791  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1       -4.840   1.904   1.986  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -4.653   2.340  -0.569  0.00  0.00    +0.031 C 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 7