REMARK  Name = BDB014913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.549   2.969  -0.520  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -3.957   1.811  -0.032  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -2.485   1.843   0.063  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1       -1.932   0.474   0.241  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.592   0.006   0.239  0.00  0.00    +0.150 A 
ATOM      6  N   LIG    1       -0.561  -1.312   0.459  0.00  0.00    -0.155 NA
ATOM      7  N   LIG    1       -1.848  -1.694   0.576  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1       -2.707  -0.642   0.473  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.189  -0.630   0.551  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -4.661   0.817   0.808  0.00  0.00    +0.114 C 
ATOM     11  O   LIG    1       -3.877   3.930  -0.904  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.120  -3.103   0.805  0.00  0.00    +0.135 C 
ATOM     13  C   LIG    1       -3.152  -3.692  -0.147  0.00  0.00    +0.186 C 
ATOM     14  O   LIG    1       -4.319  -3.975   0.642  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -3.844  -4.297   1.953  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -2.660  -3.387   2.199  0.00  0.00    +0.057 C 
ENDBRANCH   7  12
BRANCH   1  18
ATOM     17  C   LIG    1       -6.585   2.148  -1.739  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -6.061   3.029  -0.619  0.00  0.00    +0.092 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1        0.460   0.841   0.045  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        0.250   1.814  -0.138  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.852   0.601  -0.008  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.715   1.695  -0.194  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.119   1.550  -0.241  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        4.672   0.265  -0.118  0.00  0.00    -0.006 A 
ATOM     25  C   LIG    1        3.821  -0.829   0.081  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        2.433  -0.659   0.137  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.098   0.021  -0.170  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.908   0.308  -1.248  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        8.162  -0.103  -0.901  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        9.358  -0.016  -1.702  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        8.225  -0.646   0.330  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.964  -0.587   0.765  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
BRANCH  23  33
ATOM     33  C   LIG    1        4.972   2.779  -0.429  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        4.310   3.936  -0.125  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        5.389   2.936  -1.717  0.00  0.00    -0.204 F 
ENDBRANCH  23  33
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 6