REMARK  Name = BDB012756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.371  -0.459   0.365  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.323   0.443  -0.654  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.746   0.251  -0.407  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.674   1.042  -1.061  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.298   1.897  -1.865  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.968  -0.945   0.390  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.610  -1.635   0.446  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.593  -3.728  -1.302  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.320  -2.341  -0.804  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1       -2.051  -2.051  -0.443  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.789  -0.797  -0.016  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -2.779   0.186   0.068  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -4.099  -0.109  -0.284  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -4.350  -1.408  -0.739  0.00  0.00    +0.046 A 
BRANCH  13  15
ATOM     15  N   LIG    1       -5.145   0.826  -0.238  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -4.801   2.257  -0.080  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1       -6.055   3.123  -0.276  0.00  0.00    +0.178 C 
ATOM     18  O   LIG    1       -7.094   2.752   0.644  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1       -7.463   1.380   0.438  0.00  0.00    +0.178 C 
ATOM     20  C   LIG    1       -6.271   0.431   0.646  0.00  0.00    +0.133 C 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        4.084   0.866  -0.809  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        5.005   1.438  -1.649  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        4.804   2.000  -2.470  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        6.285   1.201  -1.319  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        6.199   0.480  -0.196  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.846   0.254   0.167  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.446   0.029   0.509  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        7.533  -1.497   0.578  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.550   0.636   1.910  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4