REMARK  Name = BDB031475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.615   0.046  -1.194  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.825   0.759  -0.273  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.489   0.416  -0.145  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        0.514   0.973   0.756  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1        1.725   0.350   0.488  0.00  0.00    -0.256 N 
ATOM      6  C   LIG    1        1.570  -0.732  -0.496  0.00  0.00    +0.192 C 
ATOM      7  O   LIG    1        0.258   1.784   1.627  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.105  -0.605  -0.871  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -0.649  -1.317  -1.790  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.003  -0.988  -1.946  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.859  -2.140   0.047  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.638  -3.060  -0.679  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.885  -4.345  -0.186  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.348  -4.734   1.037  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        2.652  -6.315   1.642  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.562  -3.851   1.770  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.315  -2.567   1.278  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  18
ATOM     18  C   LIG    1       -4.095   0.391  -1.377  0.00  0.00    +0.101 C 
ATOM     19  C   LIG    1       -4.246   1.812  -1.946  0.00  0.00    +0.048 C 
BRANCH  18  20
ATOM     20  O   LIG    1       -4.693  -0.505  -2.333  0.00  0.00    -0.383 OA
ATOM     21  H   LIG    1       -5.616  -0.202  -2.413  0.00  0.00    +0.211 HD
ENDBRANCH  18  20
BRANCH  18  22
ATOM     22  C   LIG    1       -4.876   0.229  -0.034  0.00  0.00    +0.119 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.027   0.355   1.055  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -6.344   0.245  -0.231  0.00  0.00    -0.316 NA
ATOM     25  H   LIG    1       -6.608  -0.651  -0.646  0.00  0.00    +0.122 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH   6  26
ATOM     26  O   LIG    1        2.232  -0.453  -1.735  0.00  0.00    -0.351 OA
ATOM     27  C   LIG    1        3.533   0.096  -1.674  0.00  0.00    +0.197 C 
ENDBRANCH   6  26
BRANCH   5  28
ATOM     28  C   LIG    1        2.814   0.402   1.462  0.00  0.00    +0.166 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.681   1.645   1.381  0.00  0.00    +0.059 A 
ATOM     30  N   LIG    1        4.919   1.497   0.835  0.00  0.00    -0.257 NA
ATOM     31  C   LIG    1        5.708   2.599   0.764  0.00  0.00    +0.131 A 
ATOM     32  C   LIG    1        5.327   3.851   1.215  0.00  0.00    +0.059 A 
ATOM     33 CL   LIG    1        6.384   5.196   1.088  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1        4.066   3.990   1.777  0.00  0.00    +0.023 A 
ATOM     35  C   LIG    1        3.233   2.874   1.865  0.00  0.00    +0.026 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8