REMARK  Name = BDB020859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.108   0.306  -0.012  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.548   0.658   1.248  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.762   0.314   1.473  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.053   0.787   2.720  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.009   1.359   3.241  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.555  -0.369   0.541  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.038  -0.685  -0.616  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.021   1.281   2.310  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.278  -0.343  -0.859  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.489   0.959  -1.679  0.00  0.00    +0.216 C 
ATOM     11  N   LIG    1        5.202   0.981  -1.147  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        4.903   0.818   0.277  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.583   0.076   0.496  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        2.487   0.600  -0.398  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        2.792   1.324  -1.492  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        4.184   1.650  -1.948  0.00  0.00    +0.135 C 
ATOM     17  O   LIG    1        6.730   1.374  -2.814  0.00  0.00    -0.276 OA
BRANCH  10  19
ATOM     18  C   LIG    1        8.929   0.317  -1.514  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.588   0.384  -0.800  0.00  0.00    +0.092 C 
ENDBRANCH  10  19
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -2.858  -0.680   0.869  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.086  -0.767   1.853  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.646  -1.571   0.033  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.080  -1.524   0.471  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.901  -0.430   0.212  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.593   0.860  -0.452  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -7.015   1.392  -0.629  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.881   0.756   0.340  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.216  -0.399   0.659  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.774  -1.436   1.379  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.973  -2.546   1.646  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.646  -2.581   1.196  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.901  -3.655   1.491  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5