REMARK  Name = BDB003793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.724  -0.797  -0.888  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.512  -0.307  -0.704  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.538  -0.881  -1.358  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.336  -1.942  -2.216  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.043  -2.376  -2.353  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.992  -1.826  -1.701  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.718  -0.149  -0.159  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.285   0.574   0.397  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.905  -0.531   0.305  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        5.185   0.434   1.011  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        3.799   0.539   0.839  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.100  -0.311  -0.036  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.840  -1.271  -0.735  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.227  -1.384  -0.569  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        8.065  -1.502  -0.131  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.372  -0.686   0.449  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        7.907   0.191   1.317  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.863  -0.028   1.308  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.861  -0.404  -1.205  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1       -3.495  -1.174  -1.010  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.300   0.764  -0.528  0.00  0.00    +0.075 A 
ATOM     22  C   LIG    1       -4.586   0.773   0.063  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -5.058   1.932   0.691  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -4.272   3.086   0.717  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.019   3.093   0.112  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.542   1.942  -0.513  0.00  0.00    +0.027 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -5.269  -0.415  -0.031  0.00  0.00    -0.404 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.581  -0.467   0.501  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1       -7.391   0.427  -0.104  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -7.082  -1.703   0.279  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -6.577  -0.251   1.833  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8