REMARK  Name = BDB018146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715   1.192  -0.205  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.789  -0.155  -0.927  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1       -2.236  -0.535  -1.242  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -2.673  -1.337  -0.005  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1       -1.482  -1.730   0.705  0.00  0.00    -0.338 OA
ATOM      6  C   LIG    1       -0.348  -1.354  -0.082  0.00  0.00    +0.240 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.567  -0.605   0.882  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -4.841  -0.233   0.521  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -5.420   0.422   1.598  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1       -6.716   0.863   1.381  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1       -7.354   0.670   0.217  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1       -6.669   0.019  -0.737  0.00  0.00    +0.225 A 
ATOM     13 CL   LIG    1       -7.530   1.681   2.624  0.00  0.00    -0.061 Cl
ATOM     14  C   LIG    1       -4.456   0.434   2.642  0.00  0.00    +0.032 A 
ATOM     15  N   LIG    1       -5.411  -0.464  -0.678  0.00  0.00    -0.218 NA
ATOM     16  C   LIG    1       -3.329  -0.212   2.176  0.00  0.00    +0.091 A 
ENDBRANCH   4   7
BRANCH   6  17
ATOM     17  C   LIG    1        0.933  -1.077   0.729  0.00  0.00    +0.249 C 
ATOM     18  N   LIG    1        1.999  -0.717  -0.086  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.774  -0.553  -1.067  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        0.960  -1.192   1.951  0.00  0.00    -0.273 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.324  -0.436   0.299  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.196   0.016  -0.701  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.539   0.314  -0.415  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1        6.000   0.166   0.898  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.140  -0.286   1.897  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.808  -0.588   1.598  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.455   0.828  -1.494  0.00  0.00    +0.113 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.402   2.282  -1.584  0.00  0.00    -0.326 NA
ATOM     29  H   LIG    1        6.653   2.674  -0.677  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        5.436   2.566  -1.741  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  18  21
ENDBRANCH   6  17
BRANCH   3  31
ATOM     31  O   LIG    1       -2.224  -1.367  -2.425  0.00  0.00    -0.384 OA
ATOM     32  H   LIG    1       -3.159  -1.562  -2.635  0.00  0.00    +0.210 HD
ENDBRANCH   3  31
BRANCH   2  33
ATOM     33  O   LIG    1       -0.006  -0.064  -2.128  0.00  0.00    -0.383 OA
ATOM     34  H   LIG    1       -0.508  -0.579  -2.800  0.00  0.00    +0.210 HD
ENDBRANCH   2  33
TORSDOF 7