REMARK  Name = BDB061955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.017  -0.356   0.808  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        0.933  -0.332  -0.249  0.00  0.00    +0.067 A 
ATOM      3 CL   LIG    1        0.507   0.206  -1.856  0.00  0.00    -0.081 Cl
ATOM      4  C   LIG    1        2.284  -0.734  -0.060  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.681  -1.171   1.206  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.779  -1.192   2.261  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.458  -0.784   2.067  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -1.531   1.636   0.537  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -1.492   0.097   0.651  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1       -2.071  -0.518  -0.522  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1       -1.533  -0.431  -1.382  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -3.400  -0.553  -0.778  0.00  0.00    +0.183 C 
ATOM     13  N   LIG    1       -3.704  -0.693  -2.025  0.00  0.00    -0.272 NA
ATOM     14  H   LIG    1       -4.700  -0.699  -2.211  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -4.311  -0.427   0.255  0.00  0.00    -0.241 N 
ATOM     16  C   LIG    1       -3.844  -0.067   1.515  0.00  0.00    +0.224 C 
ATOM     17  O   LIG    1       -4.535   0.454   2.393  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -2.391  -0.353   1.808  0.00  0.00    +0.126 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -5.771  -0.378   0.005  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -6.281   1.053  -0.195  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -7.774   1.036  -0.496  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -8.496   0.344   0.520  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -8.101  -1.021   0.649  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -6.632  -1.120   1.042  0.00  0.00    +0.051 C 
ENDBRANCH  15  19
ENDBRANCH   1   9
BRANCH   4  25
ATOM     25  N   LIG    1        3.207  -0.688  -1.134  0.00  0.00    -0.312 N 
ATOM     26  H   LIG    1        2.743  -0.565  -2.033  0.00  0.00    +0.152 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.572  -0.363  -1.177  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        5.340  -0.714  -2.285  0.00  0.00    +0.134 A 
ATOM     29  N   LIG    1        6.670  -0.481  -2.425  0.00  0.00    -0.258 NA
ATOM     30  C   LIG    1        7.329   0.132  -1.412  0.00  0.00    +0.044 A 
ATOM     31  C   LIG    1        6.635   0.506  -0.259  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        5.263   0.255  -0.142  0.00  0.00    +0.026 A 
BRANCH  30  33
ATOM     33  C   LIG    1        8.812   0.373  -1.611  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1        9.797   0.283  -0.470  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        9.495   1.616  -1.093  0.00  0.00    +0.010 C 
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 5