REMARK  Name = BDB020838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.106   0.907  -0.504  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.486   0.578  -1.841  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        1.808   0.735  -2.182  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.903   0.323  -3.480  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.719  -0.031  -3.925  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.785   1.214  -1.302  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.433   1.516  -0.083  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.176   0.125  -2.890  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.113   1.353   0.282  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.130  -0.352   1.357  0.00  0.00    +0.230 C 
ATOM     11  N   LIG    1       -3.913   0.189   0.922  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1       -2.883   0.447   1.923  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -1.479   0.169   1.385  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1       -1.266   0.762   0.010  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1       -2.338   1.085  -0.740  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1       -3.771   0.883  -0.352  0.00  0.00    +0.135 C 
ATOM     17  O   LIG    1       -5.279  -0.727   2.522  0.00  0.00    -0.274 OA
BRANCH  10  18
ATOM     18  C   LIG    1       -6.245  -0.471   0.290  0.00  0.00    +0.180 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -8.163   0.126   1.665  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1       -7.544  -0.917   0.845  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -8.448  -1.307  -0.236  0.00  0.00    +0.105 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  N   LIG    1        4.084   1.348  -1.756  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        4.210   1.538  -2.743  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.130   1.935  -0.929  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.603   1.000   0.149  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.956  -0.328  -0.079  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.883  -1.146  -1.314  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        6.708  -2.352  -0.866  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        6.690  -2.424   0.577  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        6.398  -1.140   0.960  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.516  -0.684   2.257  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.194   0.648   2.506  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        5.753   1.472   1.461  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        5.479   2.756   1.741  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6