REMARK  Name = BDB026335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.280   1.393  -0.769  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.146   0.070  -0.257  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.385   0.079   0.668  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.547   0.759   0.051  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.217   1.634  -1.098  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.864   2.333  -0.851  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.681  -0.030  -0.169  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.931   0.313   0.376  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -6.066  -0.427   0.168  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -5.971  -1.540  -0.598  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -4.776  -1.948  -1.175  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.630  -1.185  -0.957  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.201  -2.371  -0.841  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.429  -2.043  -0.313  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -9.156  -2.700  -0.567  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -8.789  -0.923   0.522  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -7.124  -3.386  -1.536  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -5.074   1.544   1.248  0.00  0.00    +0.391 C 
ATOM     19  F   LIG    1       -4.791   2.716   0.605  0.00  0.00    -0.202 F 
ATOM     20  F   LIG    1       -4.296   1.527   2.370  0.00  0.00    -0.202 F 
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.366   1.991   0.021  0.00  0.00    +0.119 C 
BRANCH  21  31
ATOM     22  C   LIG    1        7.074  -1.058   0.411  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        6.582  -0.819   1.840  0.00  0.00    +0.271 A 
ATOM     24  O   LIG    1        7.240  -1.184   2.803  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        5.374  -0.179   1.954  0.00  0.00    -0.319 N 
ATOM     26  H   LIG    1        5.030  -0.010   2.888  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        4.650   0.223   0.828  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.176  -0.033  -0.448  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1        4.450   0.375  -1.565  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        3.220   1.024  -1.415  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        2.690   1.271  -0.138  0.00  0.00    -0.031 A 
ATOM     32  C   LIG    1        3.423   0.870   0.989  0.00  0.00    +0.032 A 
ATOM     33  N   LIG    1        6.409  -0.681  -0.642  0.00  0.00    -0.245 NA
BRANCH  22  35
ATOM     34  C   LIG    1        9.542  -0.741   0.391  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        8.410  -1.742   0.251  0.00  0.00    +0.057 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6