REMARK  Name = BDB021227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.047  -0.317  -0.057  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.639  -0.272   1.304  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.351  -0.692   1.580  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.192  -0.631   2.945  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.381  -0.129   3.423  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.541  -1.112   0.576  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.149  -1.161  -0.668  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.269   0.101   2.402  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.140  -0.760  -0.953  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.214   1.224  -2.006  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        5.869   0.800  -1.498  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1        4.998   1.777  -1.155  0.00  0.00    -0.256 NA
ATOM     13  C   LIG    1        3.776   1.418  -0.678  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        2.871   2.556  -0.302  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        3.380   0.081  -0.546  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.301  -0.908  -0.911  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        5.558  -0.549  -1.389  0.00  0.00    +0.023 A 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        1.721   0.132   4.789  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        1.956   0.336   5.908  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.830  -1.488   0.883  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.242  -1.914   0.054  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.757  -0.526   1.471  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.098  -0.598   0.799  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.309  -0.135  -0.498  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.356   0.435  -1.483  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -4.352   0.975  -2.509  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -5.598   0.252  -2.379  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.559  -0.234  -1.098  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.644  -0.793  -0.454  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.459  -1.254   0.849  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.202  -1.153   1.459  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.063  -1.611   2.712  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5