REMARK  Name = BDB061192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.455  -0.341  -0.796  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        1.991   0.667  -0.000  0.00  0.00    -0.239 N 
ATOM      3  C   LIG    1        0.717   0.698   0.446  0.00  0.00    +0.202 A 
ATOM      4  N   LIG    1        0.394   1.693   1.220  0.00  0.00    -0.144 NA
ATOM      5  N   LIG    1        1.576   2.412   1.282  0.00  0.00    -0.198 N 
ATOM      6  C   LIG    1       -0.199  -0.428   0.014  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1        0.266  -1.379  -0.753  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.592   1.772   0.548  0.00  0.00    +0.353 A 
ATOM      9  O   LIG    1        3.747   2.152   0.457  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1        1.589  -1.314  -1.143  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.620  -1.736   0.727  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        4.868  -1.039  -0.581  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.844  -0.371  -1.267  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        4.169   0.262  -2.474  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.474   0.216  -2.952  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.416  -0.473  -2.211  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        6.142  -1.104  -1.049  0.00  0.00    -0.260 NA
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -1.501  -0.390   0.458  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -1.672   0.258   1.225  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.329  -1.578   0.480  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.748  -1.198   0.789  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.542  -0.494  -0.112  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.210   0.057  -1.448  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.619   0.404  -1.928  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.482   0.571  -0.779  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.845  -0.134   0.208  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.417  -0.447   1.424  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.645  -1.160   2.341  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.330  -1.527   2.019  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.616  -2.202   2.932  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
BRANCH   5  31
ATOM     31  C   LIG    1        1.775   3.548   2.153  0.00  0.00    +0.267 C 
BRANCH  31  32
ATOM     32  C   LIG    1        2.155   3.133   3.511  0.00  0.00    +0.086 C 
ATOM     33  N   LIG    1        2.451   2.818   4.589  0.00  0.00    -0.195 NA
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 6