REMARK  Name = BDB034709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.642  -0.594   1.947  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        1.430  -0.289   1.306  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.721   0.586   2.127  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.513   1.073   1.767  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.036   0.655   0.535  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.345  -0.246  -0.308  0.00  0.00    +0.034 A 
ATOM      7  N   LIG    1        1.486   0.823   3.274  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        1.090   1.651   4.375  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.926  -0.707   0.090  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        2.682   0.084   3.190  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.579   0.034   4.017  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -0.824  -0.636  -1.579  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -0.280  -1.390  -1.988  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.127  -0.601  -2.134  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1       -2.305  -0.970  -3.463  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1       -1.023  -1.540  -4.460  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1       -3.584  -0.881  -3.963  0.00  0.00    +0.138 A 
ATOM     18  N   LIG    1       -4.644  -0.457  -3.246  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -4.397  -0.102  -1.966  0.00  0.00    +0.253 A 
ATOM     20  N   LIG    1       -3.170  -0.167  -1.399  0.00  0.00    -0.194 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -5.490   0.381  -1.151  0.00  0.00    -0.202 N 
ATOM     22  C   LIG    1       -6.832   0.533  -1.497  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -7.405   0.205  -2.826  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -7.468   1.029  -0.377  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -6.467   1.156   0.601  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1       -6.606   1.643   1.994  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1       -5.275   0.771   0.143  0.00  0.00    -0.169 NA
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  28
ATOM     28  C   LIG    1        3.645  -1.528   1.498  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.947  -0.858   1.037  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.984  -0.391  -0.435  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1        4.965  -1.580  -1.403  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     32  C   LIG    1        7.567  -0.119  -0.486  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        6.204   0.520  -0.705  0.00  0.00    +0.031 C 
ENDBRANCH  30  33
BRANCH  30  34
ATOM     34  O   LIG    1        3.825   0.389  -0.735  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1        3.716   1.051  -0.029  0.00  0.00    +0.210 HD
ENDBRANCH  30  34
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8