REMARK  Name = BDB003352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.650  -1.840  -0.228  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.503  -1.025  -0.087  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.493  -1.273   0.877  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.632  -0.453   0.941  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.796   0.638   0.073  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.812   0.905  -0.891  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.352  -2.403   1.860  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.097  -2.849   1.974  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.678   0.072  -0.950  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.656  -3.075   0.578  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.542   0.133   0.647  0.00  0.00    +0.129 A 
ATOM     12  N   LIG    1        2.299  -0.389   0.688  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.957  -1.274  -0.270  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1        2.851  -1.653  -1.300  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        4.138  -1.085  -1.303  0.00  0.00    +0.076 A 
ATOM     16  N   LIG    1        5.060  -1.379  -2.236  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1        4.726  -2.252  -3.213  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        3.491  -2.859  -3.310  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.543  -2.554  -2.343  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.479  -0.186  -0.318  0.00  0.00    +0.061 A 
BRANCH  11  24
ATOM     21  C   LIG    1        4.827   3.298   2.272  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        4.572   2.237   1.330  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        4.571   2.472   0.346  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.889   1.099   1.734  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        3.572   0.880   2.898  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.984   1.456   0.207  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.272   0.986   0.059  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.090   2.060   0.259  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.532   2.075   0.213  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -5.425   3.200   0.517  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -4.142   2.828   0.500  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.925   2.055  -1.858  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.643   3.254  -1.277  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -1.065   1.955  -2.916  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4