REMARK  Name = BDB019727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.716  -0.982  -0.459  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.949  -0.310  -0.412  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        3.048  -0.764  -1.161  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        2.883  -1.897  -1.960  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1        3.902  -2.348  -2.704  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.672  -2.584  -2.004  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.588  -2.132  -1.249  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -1.675  -0.781  -0.052  0.00  0.00    -0.303 N 
ATOM      9  H   LIG    1       -1.847  -1.203  -0.957  0.00  0.00    +0.150 HD
ATOM     10  C   LIG    1       -0.410  -0.451   0.361  0.00  0.00    +0.245 C 
ATOM     11  O   LIG    1       -0.180   0.267   1.329  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -2.874  -0.294   0.607  0.00  0.00    +0.125 C 
BRANCH  12  16
ATOM     13  C   LIG    1       -7.130   2.004  -0.840  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -5.996   1.063  -1.112  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1       -4.996   0.858  -0.158  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -3.969  -0.048  -0.428  0.00  0.00    +0.062 A 
ATOM     17  N   LIG    1       -3.911  -0.761  -1.591  0.00  0.00    -0.258 NA
ATOM     18  C   LIG    1       -4.898  -0.555  -2.489  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -5.947   0.328  -2.296  0.00  0.00    +0.023 A 
ENDBRANCH  12  16
BRANCH  12  20
ATOM     20  C   LIG    1       -3.339  -1.345   1.586  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.671  -1.493   2.933  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.075  -0.964   2.850  0.00  0.00    +0.006 C 
ENDBRANCH  12  20
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  C   LIG    1        4.362  -0.027  -1.139  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.829   0.123   0.228  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        4.839  -0.765   0.723  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.957   0.803   0.520  0.00  0.00    +0.176 C 
ATOM     27  N   LIG    1        6.152   1.998  -0.095  0.00  0.00    -0.316 N 
ATOM     28  H   LIG    1        5.304   2.548  -0.164  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        7.244   2.650   0.599  0.00  0.00    +0.127 C 
ATOM     30  C   LIG    1        7.872   1.476   1.356  0.00  0.00    +0.163 C 
ATOM     31  N   LIG    1        6.842   0.401   1.384  0.00  0.00    -0.255 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7