REMARK  Name = BDB061184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.398   0.878  -0.634  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.564   2.012  -0.372  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.280   1.776   0.060  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.291   3.007   0.206  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.583   3.943  -0.082  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.248   0.496   0.267  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.502  -0.540   0.014  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.754   3.317  -0.442  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.789  -0.319  -0.433  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.275   2.288  -1.543  0.00  0.00    +0.135 C 
ATOM     11  N   LIG    1        3.724   0.993  -1.110  0.00  0.00    -0.298 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.757   0.124  -0.662  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.880  -0.294   0.668  0.00  0.00    +0.134 A 
ATOM     14  N   LIG    1        5.845  -1.125   1.135  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1        6.743  -1.571   0.233  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        6.721  -1.226  -1.107  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        5.715  -0.370  -1.555  0.00  0.00    +0.026 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.543   0.369   0.725  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.928   1.140   1.260  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.055  -0.920   1.161  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.543  -0.829   1.336  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.416  -0.769   0.253  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.131  -0.734  -1.202  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.544  -0.972  -1.735  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.502  -0.582  -0.723  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.786  -0.649   0.444  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.352  -0.581   1.700  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.499  -0.646   2.801  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.115  -0.767   2.613  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.324  -0.803   3.695  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5