REMARK  Name = BDB003288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.049  -2.117  -0.192  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.796  -1.030   0.155  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.986  -0.747  -0.535  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.794   0.327  -0.131  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.431   1.147   0.947  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.235   0.894   1.636  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.422  -1.582  -1.709  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.248  -2.349  -2.294  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.441  -0.197   1.232  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.518  -3.067  -1.170  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.207  -0.666  -1.176  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        1.879  -0.802  -0.932  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.454  -1.960  -0.376  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        2.353  -3.002  -0.008  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.724  -2.824  -0.306  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1        4.647  -3.836   0.002  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        4.235  -5.015   0.621  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.899  -5.192   0.953  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        1.971  -4.197   0.648  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.150  -1.637  -0.902  0.00  0.00    +0.041 A 
BRANCH  11  23
ATOM     21  N   LIG    1        2.582   1.525  -1.969  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.663   1.192  -1.679  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.620   0.631  -1.804  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        4.782   0.841  -2.132  0.00  0.00    -0.269 OA
BRANCH  21  26
ATOM     25  C   LIG    1        2.253   3.932  -1.737  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        2.723   2.799  -2.630  0.00  0.00    +0.101 C 
ENDBRANCH  21  26
ENDBRANCH  11  23
ENDBRANCH   1  13
BRANCH   5  27
ATOM     27  C   LIG    1       -3.307   2.247   1.288  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.995   2.364   2.476  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -4.728   3.511   2.374  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -5.622   4.064   3.365  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -4.568   4.146   1.197  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -3.715   3.364   0.530  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1       -0.781   1.743   2.795  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        0.532   1.551   3.120  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -1.474   1.484   3.941  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 5