REMARK  Name = BDB003651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.186  -1.657   1.190  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.901  -1.269   0.060  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1        1.827  -1.229  -0.967  0.00  0.00    -0.234 N 
ATOM      4  H   LIG    1        1.680  -0.617  -1.772  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1        3.177  -1.410  -0.604  0.00  0.00    -0.230 N 
ATOM      6  H   LIG    1        3.312  -1.814   0.324  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1        4.084  -0.512  -1.133  0.00  0.00    +0.260 C 
ATOM      8  O   LIG    1        3.783   0.292  -2.012  0.00  0.00    -0.269 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.460  -0.528  -0.565  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.257   0.610  -0.735  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        7.559   0.615  -0.219  0.00  0.00    +0.145 A 
ATOM     12  C   LIG    1        8.087  -0.480   0.462  0.00  0.00    +0.071 A 
ATOM     13 CL   LIG    1        9.668  -0.503   1.148  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        7.289  -1.617   0.616  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.984  -1.646   0.102  0.00  0.00    +0.014 A 
BRANCH  11  16
ATOM     16  N   LIG    1        8.352   1.805  -0.410  0.00  0.00    +0.058 N 
ATOM     17  O   LIG    1        8.023   2.802   0.245  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        9.268   1.745  -1.239  0.00  0.00    -0.126 OA
ENDBRANCH  11  16
ENDBRANCH   7   9
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.469  -0.801  -0.358  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.447  -0.888   0.804  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.773  -0.428   0.420  0.00  0.00    -0.343 N 
ATOM     22  C   LIG    1       -3.745  -1.222  -0.166  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -4.864  -0.410  -0.388  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -6.009  -0.974  -0.986  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -6.008  -2.325  -1.344  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.887  -3.116  -1.114  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.539   0.891   0.084  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1       -5.361   2.136   0.080  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -4.762   3.202   1.016  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.238   3.321   0.849  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -2.513   2.002   1.173  0.00  0.00    +0.054 C 
ATOM     32  C   LIG    1       -3.738  -2.581  -0.523  0.00  0.00    +0.026 A 
ATOM     33  C   LIG    1       -3.245   0.852   0.566  0.00  0.00    +0.023 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 6