REMARK  Name = BDB003294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.121  -1.430  -0.744  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.180  -1.024  -0.334  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.332  -1.383  -1.058  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.602  -0.971  -0.616  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.760  -0.228   0.562  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.630   0.092   1.328  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.239  -2.163  -2.343  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.113  -2.841  -2.486  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.360  -0.310   0.866  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.209  -1.838  -2.159  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.464   1.251  -0.251  0.00  0.00    +0.218 A 
ATOM     12  N   LIG    1        4.596   0.674   0.180  0.00  0.00    -0.223 NA
ATOM     13  C   LIG    1        4.570  -0.649   0.342  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1        3.435  -1.426   0.070  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        3.481  -2.826   0.291  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.641  -3.440   0.756  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.765  -2.665   1.010  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.311  -0.717  -0.400  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        5.716  -1.284   0.803  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        2.313   0.619  -0.556  0.00  0.00    -0.207 NA
BRANCH  11  24
ATOM     21  C   LIG    1        1.987   4.690  -0.874  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.232   3.274  -0.826  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1        1.456   2.619  -0.869  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.450   2.755  -0.408  0.00  0.00    +0.281 C 
ATOM     25  O   LIG    1        4.430   3.455  -0.173  0.00  0.00    -0.267 OA
ENDBRANCH  11  24
ENDBRANCH   1  18
BRANCH   5  26
ATOM     26  C   LIG    1       -4.101   0.161   0.949  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.529   1.461   1.107  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.851   1.386   1.441  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -6.741   2.488   1.715  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.317   0.125   1.501  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.254  -0.619   1.185  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.724   0.860   2.622  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.862   2.202   2.423  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -0.613   0.726   3.406  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4