REMARK  Name = BDB019124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.172  -1.060  -0.062  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.371   0.050   0.184  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.091  -0.452   0.358  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.040   0.349   0.626  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.898   1.645   0.698  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.367   2.166   0.537  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.163  -1.809   0.202  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.499   1.466   0.299  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        1.389  -2.212  -0.030  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.736   2.262   0.197  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.550   2.549   1.304  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.244   2.007   2.671  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        4.658   3.333   1.217  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        4.981   3.824   0.001  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.243   3.591  -1.145  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.100   2.804  -1.042  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     17  C   LIG    1        3.613  -1.118  -0.334  0.00  0.00    +0.360 C 
ATOM     18  O   LIG    1        4.327  -0.137  -0.498  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.071  -2.405  -0.397  0.00  0.00    -0.460 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.733  -2.555  -2.150  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        5.471  -2.565  -0.655  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  22
ATOM     22  N   LIG    1       -2.269  -0.257   0.798  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.261  -1.207   1.153  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.406   0.507   1.284  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.659  -0.313   1.120  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.298  -0.866   2.233  0.00  0.00    +0.131 A 
ATOM     27  F   LIG    1       -4.794  -0.670   3.458  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -6.449  -1.630   2.097  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -6.967  -1.847   0.826  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1       -8.078  -2.589   0.708  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -6.354  -1.315  -0.316  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1       -5.196  -0.547  -0.161  0.00  0.00    +0.056 A 
BRANCH  31  33
ATOM     33  O   LIG    1       -6.962  -1.607  -1.506  0.00  0.00    -0.492 OA
ATOM     34  C   LIG    1       -6.379  -1.072  -2.687  0.00  0.00    +0.277 C 
ENDBRANCH  31  33
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 8