REMARK  Name = BDB004648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.638   0.465  -0.103  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.826   0.134   0.583  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.001   0.790   0.167  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.202   0.463   0.833  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.225  -0.476   1.883  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.061  -1.103   2.295  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.956   1.698  -0.835  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.770   1.953  -1.398  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.870  -0.798   1.651  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.610   1.383  -1.079  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.524   1.075   0.489  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.546   0.780   1.100  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.579   1.978  -0.530  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.464   2.409  -0.756  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.739   2.251  -1.031  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.567  -0.175   0.258  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.418  -1.179   0.182  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.779   0.211  -0.489  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.793  -0.922  -0.335  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -3.299  -1.572  -1.471  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -4.213  -2.612  -1.332  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -4.685  -3.223  -2.427  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.642  -3.030  -0.078  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.148  -2.397   1.060  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.230  -1.351   0.933  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.348   1.570   0.027  0.00  0.00    +0.104 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.470   2.099  -0.767  0.00  0.00    -0.328 NA
ATOM     28  H   LIG    1       -3.761   2.991  -0.369  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -3.141   2.305  -1.710  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6