REMARK  Name = BDB040787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.493  -1.028  -0.763  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.802  -1.821   0.218  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.508  -1.366  -0.454  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.339  -0.194  -0.989  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.582   0.210  -0.658  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.146  -0.964  -0.011  0.00  0.00    +0.048 A 
ATOM      7 CL   LIG    1       -6.221  -2.021   0.846  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -3.801  -1.363  -0.044  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -2.840  -0.616  -0.725  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -3.264   0.528  -1.400  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.606   0.935  -1.371  0.00  0.00    +0.048 A 
ATOM     12 CL   LIG    1       -4.986   2.358  -2.286  0.00  0.00    -0.083 Cl
BRANCH   5  19
ATOM     13  O   LIG    1      -11.083   0.293   0.161  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -9.882   0.349  -0.089  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -8.957   0.507   0.911  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.333   0.594   1.846  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.616   0.782   0.782  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -6.965   1.161   1.754  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.035   0.679  -0.626  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -7.920  -0.166  -1.550  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -9.352   0.342  -1.502  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        1.530  -0.992   0.484  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        1.718  -1.674   1.210  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.584  -0.243   0.118  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1        3.647  -0.247   0.973  0.00  0.00    -0.409 OA
ATOM     26  C   LIG    1        4.529   0.583   0.331  0.00  0.00    +0.222 A 
ATOM     27  N   LIG    1        4.047   1.049  -0.803  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1        2.786   0.508  -0.941  0.00  0.00    -0.093 NA
BRANCH  26  29
ATOM     29  C   LIG    1        5.930   0.954   0.887  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1        7.093   0.847  -0.143  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1        7.893   0.196   0.964  0.00  0.00    -0.028 C 
ATOM     32  C   LIG    1        8.908  -0.862   0.615  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        9.989   0.228   0.835  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        8.948   1.024   1.665  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        6.633  -0.170   1.704  0.00  0.00    +0.020 C 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 5