REMARK  Name = BDB041045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.741  -0.614  -1.019  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.748   0.473  -0.544  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.927   0.550  -1.465  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -4.199   1.182  -1.401  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.893   1.006  -2.536  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -4.070   0.297  -3.330  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.510  -0.059  -4.657  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.797   1.980  -0.301  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.872   0.031  -2.737  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.778  -0.569  -3.306  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -1.713  -0.730  -4.303  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.627  -0.695  -2.566  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.443  -0.945  -3.128  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -2.294   0.226   0.855  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1       -3.040  -0.924   1.177  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -3.507  -1.139   2.479  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1       -4.426  -2.572   2.776  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -3.230  -0.205   3.481  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1       -3.779  -0.398   5.108  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -2.488   0.938   3.176  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.022   1.151   1.876  0.00  0.00    +0.006 A 
ENDBRANCH   2  14
BRANCH   1  23
ATOM     22  C   LIG    1        1.026  -0.880   0.709  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        0.626  -0.395  -0.516  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.337  -0.331  -1.241  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        0.264  -1.419   1.501  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1        5.194  -0.601   1.720  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1        4.651   0.293   0.772  0.00  0.00    +0.162 A 
ATOM     28  C   LIG    1        3.292   0.213   0.438  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        2.477  -0.761   1.030  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        3.018  -1.636   1.977  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        4.371  -1.559   2.318  0.00  0.00    +0.050 A 
BRANCH  26  33
ATOM     32  C   LIG    1        7.113  -1.324   2.948  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        6.532  -0.451   1.989  0.00  0.00    -0.491 OA
ENDBRANCH  26  33
BRANCH  27  34
ATOM     34  O   LIG    1        5.524   1.211   0.243  0.00  0.00    -0.491 OA
ATOM     35  C   LIG    1        5.049   2.066  -0.786  0.00  0.00    +0.277 C 
ENDBRANCH  27  34
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 5