REMARK  Name = BDB020974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.861   0.150  -0.376  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.921   0.917   0.069  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -2.183   2.381   0.056  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -3.386   2.728   0.817  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.487   1.762   0.781  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -4.039   0.381   1.247  0.00  0.00    +0.142 C 
ATOM      7  C   LIG    1       -3.562   4.091   1.083  0.00  0.00    +0.247 C 
ATOM      8  O   LIG    1       -2.705   4.921   0.776  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -2.792   0.005   0.616  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1       -2.244  -1.248   0.518  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -1.075  -1.178  -0.085  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1        4.170   0.091  -1.123  0.00  0.00    +0.103 A 
ATOM     13  C   LIG    1        2.789   0.425  -1.224  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.745   1.448  -2.171  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        1.549   2.054  -2.579  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        0.361   1.609  -1.986  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        0.363   0.610  -1.009  0.00  0.00    +0.003 A 
ATOM     18  N   LIG    1        4.051   1.657  -2.537  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        4.527   2.626  -3.495  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        1.578   0.009  -0.632  0.00  0.00    +0.022 A 
ATOM     21  N   LIG    1        4.934   0.866  -1.906  0.00  0.00    -0.170 NA
BRANCH  12  26
ATOM     22  C   LIG    1        7.304  -2.669   1.592  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        6.142  -2.156   0.910  0.00  0.00    -0.274 N 
ATOM     24  N   LIG    1        4.984  -2.842   0.967  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        4.148  -2.103   0.228  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        4.761  -0.940  -0.276  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.062  -1.014   0.173  0.00  0.00    +0.118 A 
ENDBRANCH  12  26
ENDBRANCH   1  17
BRANCH  10  28
ATOM     28  C   LIG    1       -2.893  -2.488   1.028  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1       -1.916  -3.585   1.422  0.00  0.00    +0.171 C 
ATOM     30  O   LIG    1       -2.664  -4.815   1.375  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -3.821  -4.603   0.555  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -3.719  -3.204  -0.019  0.00  0.00    +0.041 C 
ENDBRANCH  10  28
BRANCH   7  33
ATOM     33  C   LIG    1       -4.850   4.505   1.779  0.00  0.00    +0.309 C 
ATOM     34  F   LIG    1       -4.870   5.826   2.120  0.00  0.00    -0.239 F 
ENDBRANCH   7  33
TORSDOF 4