REMARK  Name = BDB008432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.649  -2.295  -0.812  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -1.625  -2.277   0.342  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -0.272  -1.675  -0.141  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -0.368  -0.187  -0.235  0.00  0.00    +0.030 A 
ATOM      5  N   LIG    1        0.457   0.641  -0.960  0.00  0.00    -0.339 N 
ATOM      6  C   LIG    1        0.039   1.954  -0.798  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.066   1.932   0.064  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.711   3.121   0.406  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -1.218   4.329  -0.125  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.114   4.344  -0.974  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.889   3.141   1.289  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1       -3.412   4.235   1.528  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.459   2.028   1.867  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.258   2.288   2.439  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -3.212   0.693   1.909  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -2.284   0.036   1.292  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        0.533   3.159  -1.326  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -1.292   0.599   0.422  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.193  -1.472   1.543  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1       -1.385  -3.731   0.788  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   5  21
ATOM     21  C   LIG    1        1.570   0.207  -1.802  0.00  0.00    +0.157 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.758  -0.263  -0.998  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1        3.362   0.566  -0.040  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.470   0.125   0.685  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.994  -1.145   0.456  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.412  -1.975  -0.500  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.303  -1.536  -1.226  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 2