REMARK  Name = BDB040749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.640  -0.965  -1.881  0.00  0.00    +0.159 A 
ATOM      2  C   LIG    1       -4.987  -0.552  -1.769  0.00  0.00    +0.088 A 
ATOM      3 CL   LIG    1       -5.886  -0.228  -3.224  0.00  0.00    -0.079 Cl
ATOM      4  C   LIG    1       -5.593  -0.395  -0.505  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -4.803  -0.649   0.628  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -3.459  -1.022   0.510  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.840  -1.157  -0.738  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -7.045   0.058  -0.362  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -7.738  -0.456   0.896  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1       -8.050  -1.636   1.046  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1       -7.951   0.448   1.909  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -8.380   0.074   2.745  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -7.472   1.729   2.010  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -7.570   2.357   3.060  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -6.758   2.282   0.803  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -7.205   1.581  -0.470  0.00  0.00    +0.027 C 
ENDBRANCH   4   8
BRANCH   7  17
ATOM     17  N   LIG    1       -1.464  -1.497  -0.807  0.00  0.00    -0.323 N 
ATOM     18  C   LIG    1       -0.531  -1.066  -1.817  0.00  0.00    +0.129 C 
ATOM     19  C   LIG    1        0.593  -1.449  -0.839  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -0.491  -1.316   0.243  0.00  0.00    +0.129 C 
BRANCH  19  21
ATOM     21  N   LIG    1        1.708  -0.490  -0.760  0.00  0.00    -0.275 N 
ATOM     22  H   LIG    1        1.933   0.141  -1.517  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1        2.537  -0.408   0.317  0.00  0.00    +0.401 C 
ATOM     24  O   LIG    1        2.444  -1.087   1.328  0.00  0.00    -0.226 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.473   0.542   0.083  0.00  0.00    -0.450 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.425   0.756   1.139  0.00  0.00    +0.237 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.600  -0.199   0.965  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1        6.513   0.047  -0.275  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        7.505   0.692   0.666  0.00  0.00    -0.029 C 
ATOM     30  C   LIG    1        7.693   2.192   0.589  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        9.014   1.895  -0.165  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        8.979   0.468   0.439  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        6.831   0.096   1.873  0.00  0.00    +0.013 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  19  21
ENDBRANCH   7  17
BRANCH   1  35
ATOM     34  C   LIG    1       -3.228  -2.505  -3.534  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -3.096  -1.137  -3.136  0.00  0.00    -0.492 OA
ENDBRANCH   1  35
TORSDOF 7