REMARK  Name = BDB031090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.795   0.063   1.879  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -1.086   0.324   0.764  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.085   0.987   0.893  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.583   1.431   2.110  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.147   1.152   3.256  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.344   0.452   3.138  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.781   1.226  -0.357  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.073   0.826  -0.654  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        2.354   1.306  -1.930  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        3.651   1.050  -2.448  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.540   0.348  -1.720  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.224  -0.184  -0.387  0.00  0.00    -0.028 A 
ATOM     13  N   LIG    1        1.323   1.927  -2.459  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.990   0.083   0.094  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        0.339   1.849  -1.509  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        5.223  -0.973   0.366  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        6.194  -1.893  -0.326  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        6.689  -0.630   0.325  0.00  0.00    +0.009 C 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -2.979  -0.672   1.800  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -3.721  -0.258   2.363  0.00  0.00    +0.148 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -4.066   0.203  -0.262  0.00  0.00    +0.128 C 
ATOM     22  C   LIG    1       -3.470  -1.016   0.451  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -4.695  -1.931   0.623  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -5.775  -0.977   0.924  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1       -6.686  -1.418   0.800  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.578   0.102  -0.048  0.00  0.00    +0.095 C 
BRANCH  21  28
ATOM     27  F   LIG    1       -4.199  -0.973  -2.313  0.00  0.00    -0.170 F 
ATOM     28  C   LIG    1       -3.753   0.167  -1.737  0.00  0.00    +0.396 C 
ATOM     29  F   LIG    1       -4.356   1.200  -2.373  0.00  0.00    -0.170 F 
ATOM     30  F   LIG    1       -2.434   0.259  -1.988  0.00  0.00    -0.170 F 
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5