REMARK  Name = BDB022238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.424   1.356  -1.002  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.055   1.358  -0.791  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.800   2.481  -1.184  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.181   2.538  -0.996  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.849   1.454  -0.425  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.150   0.308  -0.036  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.161   3.563  -1.796  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -0.688   4.372  -2.096  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1        1.174   3.587  -2.066  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1        1.713   4.532  -2.632  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.758   0.272  -0.236  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.962   2.415  -1.631  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.148   0.265  -0.540  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.724  -0.206   0.264  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.611   0.124  -0.483  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1        4.117  -0.464  -1.796  0.00  0.00    +0.038 C 
BRANCH  15  20
ATOM     17  C   LIG    1        5.808  -1.726   2.053  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        5.331  -0.969   0.922  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1        5.982  -0.348   0.458  0.00  0.00    +0.148 HD
ATOM     20  C   LIG    1        3.978  -0.802   0.704  0.00  0.00    +0.233 C 
ATOM     21  O   LIG    1        3.116  -1.325   1.411  0.00  0.00    -0.274 OA
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.789  -0.831   0.493  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -2.184  -1.376   1.105  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.102  -1.328   0.330  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -4.737  -2.064   1.348  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1       -6.045  -2.481   1.135  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1       -6.946  -3.389   2.291  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1       -6.756  -2.227   0.013  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1       -6.134  -1.521  -0.947  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -4.835  -1.055  -0.833  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.064  -2.370   2.569  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -3.472  -2.610   3.538  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6