REMARK  Name = BDB020675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.652  -2.345  -0.068  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.076  -1.089  -0.307  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.751   0.175  -0.270  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.432  -1.131  -0.484  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1        2.077  -2.396  -0.358  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        1.385  -3.586  -0.099  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.275  -4.638  -0.038  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        3.545  -4.091  -0.239  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1        5.137  -5.076  -0.230  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1        3.417  -2.738  -0.418  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -0.024  -3.529   0.042  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -2.780  -2.104  -1.130  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -2.241  -1.792  -1.930  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -2.138  -2.424   0.039  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -2.697  -2.767   1.073  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.216  -1.972  -1.215  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1       -5.546   3.687  -1.019  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1       -5.234   2.224  -0.971  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1       -4.663   1.668  -2.088  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.465   2.243  -2.898  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.304   0.350  -2.202  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1       -3.761  -0.078  -3.217  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -4.587  -0.531  -1.020  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -5.152   0.024   0.076  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -5.488  -0.703   1.350  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.475   1.444   0.092  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1        2.226   0.141  -0.842  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        3.270   0.005  -1.968  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1        2.645   0.919   0.342  0.00  0.00    -0.292 NA
ATOM     30  C   LIG    1        3.058   2.295   0.010  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1        3.400   3.134   1.265  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1        4.396   2.524   2.165  0.00  0.00    -0.303 NA
ATOM     33  C   LIG    1        5.744   2.586   1.606  0.00  0.00    +0.105 C 
ATOM     34  C   LIG    1        3.989   1.135   2.454  0.00  0.00    +0.099 C 
ATOM     35  C   LIG    1        3.643   0.277   1.210  0.00  0.00    +0.100 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5