REMARK  Name = BDB041334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.169   0.003   0.855  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.885  -0.544  -0.415  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        0.535  -0.726  -0.778  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.295  -1.238  -2.061  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1        1.249  -1.591  -2.957  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1        2.522  -1.427  -2.584  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1       -0.484  -0.382   0.145  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -0.200   0.151   1.351  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        2.881  -0.920  -1.345  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        1.098   0.321   1.681  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        6.787  -0.144   2.968  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        5.555   0.226   2.232  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1        5.490   1.383   1.565  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1        4.252   1.391   1.035  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.836   2.523   0.239  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1        3.526   0.260   1.322  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        4.355  -0.509   2.115  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   6  18
ATOM     18  N   LIG    1        3.493  -1.830  -3.495  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        4.168  -1.098  -3.681  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        3.008  -2.124  -4.339  0.00  0.00    +0.144 HD
ENDBRANCH   6  18
BRANCH   7  21
ATOM     21  N   LIG    1       -1.835  -0.577  -0.207  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.968  -1.556  -0.453  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.795  -0.185   0.823  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.189  -0.379   0.291  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.696   0.380  -0.761  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.038   1.420  -1.589  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.269   1.985  -2.296  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.317   0.988  -2.292  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.981   0.171  -1.244  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.818  -0.792  -0.717  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.337  -1.559   0.344  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.040  -1.348   0.835  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.614  -2.115   1.850  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 5