REMARK  Name = BDB003285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.311  -1.831  -0.205  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.541  -0.775   0.200  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.902  -0.731  -0.146  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.716   0.316   0.320  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.193   1.350   1.110  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -0.833   1.330   1.457  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.512  -1.792  -1.021  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.439  -2.507  -1.827  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.031   0.270   0.993  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.336  -2.967  -0.886  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.124  -0.375  -1.931  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        1.866  -0.561  -1.460  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.643  -1.627  -0.658  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        2.682  -2.523  -0.275  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.974  -2.297  -0.804  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        5.033  -3.159  -0.469  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        4.834  -4.234   0.396  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.578  -4.456   0.946  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.517  -3.609   0.619  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.191  -1.207  -1.646  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.174   2.831  -3.694  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.180   1.573  -2.999  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.366   1.280  -2.463  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.323   0.826  -2.805  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.419   1.098  -3.280  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.082   2.408   1.543  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.194   2.212   2.334  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -4.748   3.445   2.519  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -5.928   3.763   3.285  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -4.073   4.433   1.904  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -3.063   3.799   1.301  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -0.205   2.408   2.303  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        1.022   2.063   2.794  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.003   3.561   1.606  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4