REMARK  Name = BDB026354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.132  -0.503   2.721  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.107  -1.568   1.700  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.531  -1.927   1.206  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.195  -0.715   0.670  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.255   0.362   1.694  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.829   0.690   2.200  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.445  -0.918   0.058  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -3.766  -0.272  -1.152  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -4.971  -0.418  -1.781  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -5.898  -1.222  -1.212  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -5.666  -1.894  -0.020  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.434  -1.736   0.615  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.229  -1.398  -1.889  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -7.547  -0.754  -3.064  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -8.477  -0.970  -3.398  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -6.746   0.165  -3.838  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.075  -2.141  -1.388  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -2.744   0.637  -1.808  0.00  0.00    +0.391 C 
ATOM     19  F   LIG    1       -3.052   0.961  -3.102  0.00  0.00    -0.202 F 
ATOM     20  F   LIG    1       -2.602   1.836  -1.166  0.00  0.00    -0.202 F 
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.173  -0.218   3.325  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        6.060   1.206  -0.745  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.957  -0.287  -0.639  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        6.705  -1.036  -1.259  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        4.982  -0.789   0.185  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        4.931  -1.796   0.246  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.095   0.021   0.903  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        4.180   1.407   0.799  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        3.368   2.259   1.457  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        2.426   1.695   2.250  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        2.251   0.321   2.418  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        3.120  -0.531   1.725  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        5.202   1.987  -0.065  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        8.504   1.722  -1.026  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        7.119   1.760  -1.658  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6