REMARK  Name = BDB012836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.883  -3.484  -2.045  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        2.833  -2.172  -1.322  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        1.612  -1.690  -0.997  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        1.539  -0.505  -0.348  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.675   0.229  -0.017  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.935  -0.273  -0.351  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        4.010  -1.497  -1.018  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        0.171   0.017  -0.007  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.659   0.387  -1.235  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -2.040   0.336  -0.770  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.063   0.763  -1.597  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -2.810   1.176  -2.731  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.130  -0.394   0.485  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -0.743  -0.992   0.696  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.431   0.721  -1.141  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -5.457   0.869  -2.040  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -5.363   1.011  -3.041  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -6.684   0.805  -1.502  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -6.454   0.653  -0.194  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -5.065   0.605   0.081  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -7.586   0.563   0.790  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -8.470  -0.658   0.530  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -8.426   1.842   0.810  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  C   LIG    1        5.133   0.477  -0.015  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.372  -0.071   0.247  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1        7.200   0.973   0.555  0.00  0.00    -0.262 N 
ATOM     27  N   LIG    1        6.598   2.171   0.470  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.339   1.868   0.141  0.00  0.00    +0.142 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.611   0.904   0.858  0.00  0.00    +0.256 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.856   0.451   2.269  0.00  0.00    +0.409 C 
ATOM     31  F   LIG    1       10.190   0.412   2.516  0.00  0.00    -0.169 F 
ATOM     32  F   LIG    1        8.305   1.266   3.191  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        8.387  -0.801   2.482  0.00  0.00    -0.169 F 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   6  24
TORSDOF 6