REMARK  Name = BDB022218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.594  -0.623   0.835  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.834  -0.798   0.450  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.449  -2.058   0.574  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.788  -2.203   0.179  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.522  -1.116  -0.306  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.944   0.146  -0.410  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.714  -3.152   1.118  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.340  -4.457   1.260  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        0.586  -3.000   1.566  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        1.254  -3.890   2.091  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.605   0.289  -0.020  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.215  -1.677   1.382  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.181   0.620   0.590  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.918   0.943  -0.347  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.598   0.955   0.812  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1        2.719   2.457   1.051  0.00  0.00    +0.038 C 
BRANCH  15  19
ATOM     17  N   LIG    1        4.760   0.282  -0.153  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        5.139   0.565   0.743  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.439   0.578  -0.425  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1        2.968   0.568  -1.562  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1        5.707   0.050  -1.232  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.971  -0.670  -0.763  0.00  0.00    +0.107 C 
BRANCH  22  24
ATOM     23  C   LIG    1        8.409   0.820   0.930  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.761   0.153   0.170  0.00  0.00    -0.104 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  N   LIG    1       -3.655   1.286  -0.831  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1       -3.055   1.988  -1.261  0.00  0.00    +0.152 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.033   1.600  -0.792  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -5.618   2.445  -1.754  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1       -6.986   2.674  -1.680  0.00  0.00    +0.148 A 
ATOM     30 CL   LIG    1       -7.835   3.685  -2.788  0.00  0.00    -0.061 Cl
ATOM     31  N   LIG    1       -7.802   2.137  -0.745  0.00  0.00    -0.242 NA
ATOM     32  C   LIG    1       -7.226   1.332   0.166  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1       -5.873   1.036   0.178  0.00  0.00    +0.044 A 
BRANCH  28  34
ATOM     34  C   LIG    1       -4.831   3.054  -2.778  0.00  0.00    +0.104 C 
ATOM     35  N   LIG    1       -4.145   3.540  -3.578  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 9