REMARK  Name = BDB030890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.772  -1.461  -0.085  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.447  -2.540   0.438  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.675  -2.233   0.974  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.193  -0.991   1.013  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.452  -0.002   0.508  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.256  -0.198  -0.048  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.403   0.058  -0.213  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        4.071  -0.863  -1.245  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        5.096  -1.332  -2.241  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1        2.729  -1.313  -1.287  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        1.752  -0.902  -0.380  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        0.532  -1.569  -0.717  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.783  -2.331  -1.838  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.112   0.011   0.625  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.106  -2.184  -2.159  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1        2.561  -2.637  -2.939  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.429   0.478   0.697  0.00  0.00    +0.024 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.294   1.401   0.748  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.733   0.528  -0.140  0.00  0.00    -0.251 N 
ATOM     20  H   LIG    1        6.398   0.196  -0.821  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.769   1.977   1.687  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.331   2.436   1.260  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.606   1.544   0.411  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.936  -3.932   0.444  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -1.665  -4.755   1.254  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.347  -4.053   0.880  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -0.981  -4.519  -0.785  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.882   1.307   0.531  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.282   1.812  -0.113  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.301   1.638   0.443  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -5.082   1.372   1.757  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -6.547   1.245   1.600  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -6.761   0.257   1.456  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -7.024   2.003   0.447  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.460   1.455  -0.867  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -4.997   1.006  -0.766  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6