REMARK  Name = BDB014899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.160   4.379  -2.203  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.911   3.074  -2.287  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.236   1.925  -1.889  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.773   1.905  -1.679  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.365   0.699  -0.911  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.110   0.311  -0.375  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.210  -0.872   0.239  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.502  -1.233   0.125  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.226  -0.328  -0.587  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.664  -0.371  -0.949  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.911   0.627  -2.099  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.077   3.059  -2.682  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.960  -2.471   0.704  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.513  -2.723   2.135  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.602  -4.146   2.339  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.695  -4.780   1.054  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.454  -3.716   0.005  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.000   1.075  -0.508  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1       -0.076   1.950  -1.018  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.327   0.894  -0.049  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.283   1.874  -0.370  0.00  0.00    +0.162 A 
ATOM     22  F   LIG    1        1.876   2.931  -1.098  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        3.620   1.786   0.033  0.00  0.00    +0.096 A 
ATOM     24  C   LIG    1        4.038   0.681   0.789  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.093  -0.306   1.115  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        1.758  -0.199   0.701  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.405   0.517   1.253  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.145  -0.638   1.101  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.361  -0.390   1.670  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.484  -1.292   1.751  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.462   0.842   2.198  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.277   1.397   1.935  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
BRANCH  23  33
ATOM     33  C   LIG    1        4.511   2.831  -0.369  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1        5.227   3.687  -0.689  0.00  0.00    -0.191 NA
ENDBRANCH  23  33
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5