REMARK  Name = BDB051596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.968  -0.257  -1.149  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.578  -0.114   0.186  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.773  -0.001   0.530  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -1.760  -0.028  -0.465  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.373  -0.171  -1.803  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.016  -0.285  -2.138  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.131   0.091  -0.096  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1       -3.481   0.207   1.213  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -4.817   0.333   1.247  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1       -5.312   0.248  -0.105  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -6.633   0.304  -0.531  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -7.503   0.465   0.560  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -7.089   0.556   1.918  0.00  0.00    +0.053 A 
ATOM     14  F   LIG    1       -8.818   0.540   0.306  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -5.730   0.492   2.314  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1       -4.231   0.096  -0.927  0.00  0.00    +0.123 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.308   0.611   3.718  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -4.281   1.175   4.061  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -6.144   0.055   4.650  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -5.785   0.033   5.597  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -6.844  -0.631   4.404  0.00  0.00    +0.145 HD
ENDBRANCH  15  17
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1        2.986  -0.491  -2.620  0.00  0.00    +0.220 C 
ATOM     23  N   LIG    1        2.347  -0.363  -1.405  0.00  0.00    -0.285 N 
ATOM     24  H   LIG    1        2.959  -0.323  -0.587  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        2.443  -0.526  -3.722  0.00  0.00    -0.275 OA
BRANCH  22  30
ATOM     26  C   LIG    1        4.916   0.317   1.595  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        4.680  -0.014   0.187  0.00  0.00    -0.305 NA
ATOM     28  C   LIG    1        5.488  -1.165  -0.226  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        4.996  -1.682  -1.583  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1        4.517  -0.563  -2.523  0.00  0.00    +0.078 C 
ATOM     31  C   LIG    1        5.120   0.794  -2.151  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1        4.967   1.155  -0.666  0.00  0.00    +0.085 C 
ENDBRANCH  22  30
ENDBRANCH   1  23
TORSDOF 4