REMARK  Name = BDB017734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.628  -0.609  -2.027  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.031   0.195  -1.862  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.323  -1.820  -1.456  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -1.042  -2.811  -1.522  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.995  -1.925  -0.786  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        1.509  -0.963   0.097  0.00  0.00    +0.095 A 
ATOM      7 CL   LIG    1        0.603   0.441   0.557  0.00  0.00    -0.079 Cl
ATOM      8  C   LIG    1        2.785  -1.159   0.652  0.00  0.00    +0.141 A 
ATOM      9  C   LIG    1        3.511  -2.323   0.380  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        2.981  -3.280  -0.479  0.00  0.00    +0.045 A 
ATOM     11 CL   LIG    1        3.874  -4.709  -0.819  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        1.732  -3.088  -1.062  0.00  0.00    +0.034 A 
BRANCH   8  13
ATOM     13  O   LIG    1        3.283  -0.245   1.547  0.00  0.00    -0.488 OA
BRANCH  13  14
ATOM     14  C   LIG    1        4.496   0.389   1.107  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1        5.538   0.217   2.207  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        4.199   1.867   0.874  0.00  0.00    +0.051 C 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.921  -0.329  -2.613  0.00  0.00    +0.145 C 
BRANCH  17  24
ATOM     18  C   LIG    1       -4.877   3.086   1.052  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -4.176   2.129   0.139  0.00  0.00    +0.016 A 
ATOM     20  N   LIG    1       -3.150   2.628  -0.624  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -2.889   3.603  -0.550  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -2.398   1.883  -1.495  0.00  0.00    +0.254 A 
ATOM     23  O   LIG    1       -1.476   2.385  -2.133  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1       -2.752   0.429  -1.619  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -3.768  -0.053  -0.870  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1       -4.245  -1.479  -0.859  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -4.491   0.830   0.036  0.00  0.00    +0.024 A 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 5