REMARK  Name = BDB018550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.401  -2.528   0.081  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.921  -2.647   0.726  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.368  -3.887   1.011  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.648  -5.032   0.717  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.228  -6.323   1.057  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.596  -4.988   0.104  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.278  -5.966  -0.189  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.113  -3.633  -0.207  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.111   1.200  -0.989  0.00  0.00    +0.119 A 
ATOM     10  N   LIG    1        1.610   0.404  -1.953  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        1.104  -0.796  -1.579  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.042  -1.246  -0.265  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.550  -0.399   0.717  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.084   0.837   0.351  0.00  0.00    +0.044 A 
BRANCH   9  15
ATOM     15  N   LIG    1        2.601   2.421  -1.435  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1        2.369   2.393  -2.431  0.00  0.00    +0.148 HD
BRANCH  15  18
ATOM     17  C   LIG    1        4.434   3.138   0.105  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        4.041   2.706  -1.303  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        4.923   1.573  -1.824  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1       -1.711  -1.496   1.062  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.974  -0.405   0.265  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.725   0.484   1.012  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -3.026  -0.043   2.218  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -2.403  -1.220   2.253  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.132   1.802   0.649  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1       -4.082   2.529   1.398  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -4.405   3.830   0.988  0.00  0.00    +0.143 A 
ATOM     28  F   LIG    1       -5.310   4.549   1.671  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -3.818   4.419  -0.128  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -2.883   3.705  -0.865  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.541   2.406  -0.483  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -4.798   2.029   2.538  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -5.428   1.681   3.451  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 6