REMARK  Name = BDB036407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.644  -0.298  -0.167  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.135  -1.526   0.248  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.163  -2.082  -0.084  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.171  -2.064   1.215  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.175  -1.110   1.416  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.126  -1.358   2.295  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.113  -2.603   2.951  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.131  -3.553   2.738  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.180  -3.285   1.860  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.469   0.104   0.594  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.760   2.459  -2.579  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.795   1.869  -2.102  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.573   1.856  -0.748  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.264   2.327  -0.180  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.486   1.349  -0.073  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.365   1.535   1.137  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.411   0.674  -0.940  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.032   0.096  -2.211  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.751   1.202  -2.967  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.973  -0.355   2.503  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.902  -0.403   1.396  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.186  -1.321   1.083  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.701   0.680   1.106  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        2.612   1.758   1.681  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.732   0.483   0.049  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.875   1.295   0.072  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        5.884   1.166  -0.904  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1        5.717   0.209  -1.912  0.00  0.00    +0.053 A 
ATOM     29 CL   LIG    1        6.891  -0.029  -3.155  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        4.570  -0.593  -1.948  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        3.577  -0.456  -0.975  0.00  0.00    +0.014 A 
BRANCH  27  32
ATOM     32  C   LIG    1        7.104   2.047  -0.849  0.00  0.00    +0.419 C 
ATOM     33  F   LIG    1        7.246   2.829  -1.953  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.091   2.911   0.207  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        8.261   1.342  -0.721  0.00  0.00    -0.166 F 
ENDBRANCH  27  32
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5