REMARK  Name = BDB012792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.435  -0.355   0.828  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.359  -0.009   0.023  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.009  -0.382   0.427  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1       -0.883   0.171  -0.682  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1        0.004  -0.026  -1.919  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        1.394   0.323  -1.397  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.260  -0.958   1.885  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.229  -0.499  -0.741  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -2.293  -1.732  -1.293  0.00  0.00    -0.256 NA
ATOM     10  C   LIG    1       -3.490  -2.361  -1.323  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -3.533  -3.725  -1.946  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1       -4.648  -1.793  -0.805  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -4.581  -0.523  -0.232  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.346   0.129  -0.198  0.00  0.00    +0.032 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.775   0.091   0.324  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.018   1.448   0.393  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -7.250   1.591   0.965  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -7.942   2.825   1.244  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.834   0.421   1.274  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -6.938  -0.489   0.885  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   4   8
BRANCH   1  25
ATOM     21  C   LIG    1        5.938   0.163  -0.035  0.00  0.00    +0.064 A 
ATOM     22  N   LIG    1        5.403   1.279  -0.545  0.00  0.00    -0.178 NA
ATOM     23  N   LIG    1        4.101   1.183  -0.231  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        3.498   1.966  -0.456  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        3.756   0.015   0.385  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.952  -0.651   0.567  0.00  0.00    +0.057 A 
BRANCH  21  27
ATOM     27  C   LIG    1        7.403  -0.098  -0.144  0.00  0.00    +0.057 C 
BRANCH  27  29
ATOM     28  C   LIG    1        8.216   1.604   1.569  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        8.165   0.138   1.163  0.00  0.00    +0.003 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH   1  25
TORSDOF 5