REMARK  Name = BDB054890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.426   0.291  -0.507  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.002   1.348   0.306  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.347   1.489   0.651  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.298   0.569   0.199  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.876  -0.481  -0.615  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.476  -0.620  -0.964  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.639   0.783   0.579  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        2.809   1.576   1.178  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        3.708  -0.088   0.417  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        4.891   0.542   0.780  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        4.854   1.549   0.822  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.621  -1.240   0.017  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.175  -0.034   0.873  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        6.420  -1.409   0.802  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        7.723  -1.903   0.915  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        8.780  -1.023   1.103  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       10.027  -1.497   1.213  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        8.558   0.345   1.184  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        7.256   0.839   1.072  0.00  0.00    +0.026 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.454  -0.695  -1.601  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1       -2.802   0.220  -0.799  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -3.379   0.945  -0.385  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -2.921  -1.590  -2.244  0.00  0.00    -0.270 OA
BRANCH  20  31
ATOM     24  C   LIG    1       -5.696   0.428   0.623  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1       -5.797  -0.007  -0.735  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1       -7.043   0.037  -1.297  0.00  0.00    -0.234 N 
ATOM     27  C   LIG    1       -7.000  -0.479  -2.559  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1       -5.700  -0.837  -2.826  0.00  0.00    +0.035 A 
ATOM     29  N   LIG    1       -8.142   0.514  -0.693  0.00  0.00    -0.155 NA
ATOM     30  C   LIG    1       -7.940   0.925   0.518  0.00  0.00    +0.245 A 
ATOM     31  C   LIG    1       -4.905  -0.498  -1.684  0.00  0.00    +0.067 A 
ATOM     32  N   LIG    1       -6.756   0.891   1.212  0.00  0.00    -0.217 NA
BRANCH  24  33
ATOM     33  N   LIG    1       -4.550   0.383   1.365  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1       -3.981  -0.447   1.216  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -4.756   0.506   2.353  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH  20  31
ENDBRANCH   1  21
TORSDOF 5