REMARK  Name = BDB014646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.799   0.981  -0.999  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.235  -0.157  -1.139  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.446  -1.233  -1.483  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.803  -2.161  -1.286  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.001  -1.110  -1.550  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.641  -1.196  -0.159  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.409  -2.509   0.381  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.110  -2.622   1.056  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -3.163  -0.949  -0.233  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.834  -1.225   1.061  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -5.304  -1.227   0.901  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.934   0.144   0.769  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.286   1.288   1.268  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.907   2.540   1.165  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.172   2.654   0.591  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.825   1.520   0.113  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.900   1.183   1.855  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.212   0.270   0.205  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.482  -0.270   2.131  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.690  -0.525  -0.960  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.530   0.701  -0.622  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.976   0.369  -0.470  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        5.935   1.347  -0.356  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        5.763   2.342  -0.363  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        7.159   0.742  -0.231  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        6.877  -0.622  -0.276  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        7.944  -1.530  -0.172  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        9.248  -1.049  -0.029  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        9.496   0.325   0.013  0.00  0.00    +0.005 A 
ATOM     30  F   LIG    1        7.735  -2.854  -0.209  0.00  0.00    -0.203 F 
ATOM     31  C   LIG    1        8.452   1.254  -0.088  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1        5.522  -0.829  -0.422  0.00  0.00    -0.230 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8