REMARK  Name = BDB042410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.617   0.457   0.720  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.571  -0.357   0.214  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.752  -0.128   0.610  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.057   0.929   1.477  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        0.026   1.746   1.963  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -1.300   1.509   1.587  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.984   0.769   0.047  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -5.682   1.429   0.088  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -4.984   1.195   1.371  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -3.944   0.051   1.363  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -2.939   0.192   0.279  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -3.337   1.132  -0.801  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -4.854   1.017  -1.068  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  N   LIG    1        2.395   1.183   1.872  0.00  0.00    -0.219 N 
ATOM     15  N   LIG    1        2.711   2.194   2.716  0.00  0.00    -0.060 NA
ATOM     16  N   LIG    1        4.021   2.180   2.922  0.00  0.00    -0.124 NA
ATOM     17  C   LIG    1        4.565   1.176   2.166  0.00  0.00    +0.167 A 
ATOM     18  C   LIG    1        3.543   0.520   1.508  0.00  0.00    +0.149 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.992   0.864   2.174  0.00  0.00    +0.268 C 
ATOM     20  N   LIG    1        6.582   0.453   0.970  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1        7.939  -0.061   1.022  0.00  0.00    +0.132 C 
ATOM     22  C   LIG    1        6.096   0.837  -0.347  0.00  0.00    +0.132 C 
ATOM     23  O   LIG    1        6.640   0.922   3.218  0.00  0.00    -0.268 OA
ENDBRANCH  17  19
ENDBRANCH   4  14
BRANCH   2  24
ATOM     24  N   LIG    1       -0.937  -1.450  -0.616  0.00  0.00    -0.296 N 
ATOM     25  H   LIG    1       -1.936  -1.347  -0.819  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -0.267  -1.933  -1.771  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -0.844  -3.029  -2.423  0.00  0.00    +0.102 A 
ATOM     28  C   LIG    1       -0.198  -3.378  -3.602  0.00  0.00    +0.155 A 
ATOM     29 CL   LIG    1       -0.802  -4.644  -4.607  0.00  0.00    -0.060 Cl
ATOM     30  N   LIG    1        0.937  -2.830  -4.068  0.00  0.00    -0.222 NA
ATOM     31  C   LIG    1        1.425  -1.844  -3.316  0.00  0.00    +0.225 A 
ATOM     32  N   LIG    1        0.885  -1.367  -2.187  0.00  0.00    -0.219 NA
BRANCH  27  33
ATOM     33  N   LIG    1       -2.096  -3.557  -2.020  0.00  0.00    -0.353 N 
ATOM     34  H   LIG    1       -2.256  -4.495  -2.384  0.00  0.00    +0.143 HD
ATOM     35  H   LIG    1       -2.208  -3.513  -1.007  0.00  0.00    +0.143 HD
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   2  24
TORSDOF 6