REMARK  Name = BDB021543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.026   0.212  -3.292  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -1.917   0.265  -2.340  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -2.213   0.149  -0.974  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -1.375   0.721   0.014  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -1.697   0.646   1.382  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.851  -0.009   1.797  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.693  -0.560   0.842  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1       -0.140   1.477  -0.329  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1        0.094   2.528   0.267  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        0.733   0.929  -1.264  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1        0.496  -0.394  -1.833  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -3.374  -0.501  -0.519  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.690  -0.418  -2.804  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   7  14
ATOM     14  O   LIG    1       -4.816  -1.214   1.268  0.00  0.00    -0.486 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -6.021  -0.470   0.974  0.00  0.00    +0.210 C 
ATOM     16  C   LIG    1       -6.972  -1.343   0.155  0.00  0.00    +0.220 C 
ATOM     17  F   LIG    1       -6.371  -1.756  -0.994  0.00  0.00    -0.240 F 
ATOM     18  C   LIG    1       -7.433  -2.560   0.965  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1       -7.812  -2.269   2.355  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1       -8.659  -2.779   2.606  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -7.957  -0.845   2.623  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -6.668  -0.074   2.315  0.00  0.00    +0.062 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
BRANCH  10  23
ATOM     23  C   LIG    1        1.960   1.642  -1.619  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.240   1.155  -0.894  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.577  -0.147  -1.388  0.00  0.00    -0.389 OA
ATOM     26  H   LIG    1        4.532  -0.259  -1.240  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
BRANCH  24  27
ATOM     27  C   LIG    1        3.084   1.162   0.646  0.00  0.00    +0.117 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.252   0.959   1.514  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1        4.914  -0.339   1.449  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        6.139  -0.390   0.561  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        6.798   0.785   0.154  0.00  0.00    -0.042 A 
ATOM     32  C   LIG    1        7.933   0.696  -0.663  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        8.425  -0.547  -1.058  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.787  -1.713  -0.642  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.263   2.139   0.544  0.00  0.00    +0.051 C 
ATOM     36  C   LIG    1        6.652  -1.635   0.166  0.00  0.00    +0.005 A 
ATOM     37  C   LIG    1        5.187   2.072   1.634  0.00  0.00    +0.089 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 7