REMARK  Name = BDB036219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.036  -0.695  -0.023  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.089  -0.499   1.088  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.367  -0.464   0.565  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.796  -1.695  -0.140  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.349  -2.346  -0.814  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.522  -1.415  -1.201  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.934   0.788   0.069  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.404   0.495  -1.142  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.136   0.019  -1.132  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.622  -0.232  -2.350  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.331  -0.197   0.011  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.953   0.129   1.226  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.258   0.623   1.266  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.260   1.841  -1.387  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.887   1.467  -1.186  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.328   1.128  -1.965  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.338   1.313   0.069  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.925   1.565   1.115  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.888  -1.417  -1.088  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.168  -0.987  -0.409  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.781   0.223  -0.741  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.225   1.026  -1.662  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.970   0.617  -0.125  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -5.577  -0.195   0.838  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -6.774   0.169   1.480  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1       -7.330   1.309   1.157  0.00  0.00    +0.209 A 
ATOM     27  C   LIG    1       -6.741   2.248   0.126  0.00  0.00    +0.279 A 
ATOM     28  O   LIG    1       -7.286   3.304  -0.152  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -4.974  -1.408   1.171  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.573   1.834  -0.464  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -5.147   2.435  -1.160  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.782  -1.804   0.553  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.608   1.804   1.774  0.00  0.00    +0.439 C 
ATOM     34  F   LIG    1       -9.599   1.985   0.859  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1       -9.115   0.937   2.699  0.00  0.00    -0.164 F 
ATOM     36  F   LIG    1       -8.452   2.988   2.429  0.00  0.00    -0.164 F 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5