REMARK  Name = BDB055512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219  -0.658  -0.453  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.010  -1.795  -0.483  0.00  0.00    -0.304 N 
ATOM      3  C   LIG    1       -0.293  -2.863  -0.997  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.006  -2.405  -1.230  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        1.962  -3.302  -1.756  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.596  -4.620  -2.040  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.297  -5.055  -1.805  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.667  -4.189  -1.281  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.064  -1.035  -0.831  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.244  -0.183  -0.876  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.655   0.402   0.316  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.211  -0.023   1.646  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.280   0.247   2.720  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.717   1.651   2.807  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.672   1.674   3.164  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.658   2.338   1.503  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.705   1.415   0.274  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.850  -0.006  -1.932  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.428  -1.849  -0.089  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.326  -1.163  -1.138  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -4.741  -0.952  -0.604  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.738  -0.116   0.678  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -3.686  -0.550   1.657  0.00  0.00    -0.029 C 
ATOM     24  C   LIG    1       -2.657  -1.343   1.319  0.00  0.00    -0.006 C 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -0.759   0.501  -0.062  0.00  0.00    -0.439 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.973   2.734   1.645  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -0.496   2.846   0.223  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -0.411   1.715  -0.610  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.066   1.859  -1.957  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1        0.238   3.120  -2.453  0.00  0.00    +0.127 A 
ATOM     31  F   LIG    1        0.572   3.259  -3.743  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        0.185   4.245  -1.641  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -0.192   4.111  -0.305  0.00  0.00    +0.010 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4