REMARK  Name = BDB026334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.523  -0.294   2.401  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.242  -1.387   1.441  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.017  -1.194   0.554  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.067  -0.416   1.261  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.029  -0.593   2.725  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.660  -0.114   3.286  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.327  -0.505   0.661  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -3.808   0.518  -0.179  0.00  0.00    +0.165 A 
ATOM      9  N   LIG    1       -5.031   0.454  -0.799  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -5.795  -0.648  -0.573  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -5.402  -1.698   0.238  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.157  -1.620   0.856  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.126  -0.691  -1.263  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -7.415   0.432  -2.008  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -6.674   1.124  -2.089  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -8.587   0.527  -2.836  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -7.866  -1.662  -1.160  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -2.960   1.763  -0.406  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1       -1.769   1.509  -1.031  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -2.646   2.434   0.742  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -3.577   2.693  -1.199  0.00  0.00    -0.164 F 
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        0.826   0.979   1.713  0.00  0.00    +0.119 C 
BRANCH  22  32
ATOM     23  C   LIG    1        6.686   0.465  -1.002  0.00  0.00    +0.106 A 
ATOM     24  C   LIG    1        6.836   0.115   0.480  0.00  0.00    +0.271 A 
ATOM     25  O   LIG    1        7.922  -0.192   0.948  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        5.684   0.172   1.222  0.00  0.00    -0.319 N 
ATOM     27  H   LIG    1        5.753  -0.053   2.204  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1        4.460   0.527   0.647  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1        4.410   0.829  -0.721  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1        3.185   1.182  -1.286  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        2.028   1.231  -0.503  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        2.080   0.922   0.865  0.00  0.00    -0.031 A 
ATOM     33  C   LIG    1        3.312   0.574   1.438  0.00  0.00    +0.032 A 
ATOM     34  N   LIG    1        5.549   0.788  -1.546  0.00  0.00    -0.245 NA
BRANCH  23  36
ATOM     35  C   LIG    1        8.194  -1.035  -2.295  0.00  0.00    +0.010 C 
ATOM     36  C   LIG    1        7.931   0.392  -1.853  0.00  0.00    +0.057 C 
ENDBRANCH  23  36
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 6