REMARK  Name = BDB022279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034   4.403   1.192  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.453   3.041   0.904  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -0.516   2.088   0.410  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.942   0.779   0.115  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.015  -0.115  -0.467  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.320   0.237  -0.713  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.730   1.520  -0.361  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.350   0.367   0.388  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.188   1.325   0.802  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        0.825   2.437   0.181  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.790   2.723   1.065  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.657   3.514   1.433  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.189  -0.734  -1.249  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.705  -1.387  -1.864  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.595  -0.875  -1.183  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.320  -1.464  -2.236  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.702  -1.531  -2.119  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.715  -2.226  -3.328  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.405  -1.069  -1.065  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        5.700  -0.505  -0.058  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        4.314  -0.390  -0.082  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.658  -1.978  -3.392  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.066  -2.397  -4.298  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        6.507  -0.010   1.101  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        7.713  -0.094   1.241  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        5.752   0.586   2.047  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        6.409   0.851   2.727  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       -2.662  -0.980   0.206  0.00  0.00    -0.338 N 
ATOM     29  H   LIG    1       -1.905  -1.569   0.550  0.00  0.00    +0.147 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.950  -1.687   0.259  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -4.497  -1.726   1.690  0.00  0.00    +0.031 C 
ATOM     32  C   LIG    1       -3.675  -3.138  -0.192  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -4.964  -1.082  -0.721  0.00  0.00    +0.031 C 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 7