REMARK  Name = BDB061693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.693   3.038   1.874  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        1.496   2.321   1.446  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1        0.632   3.033   0.623  0.00  0.00    +0.216 C 
ATOM      4  O   LIG    1        0.944   4.140   0.174  0.00  0.00    -0.276 OA
ATOM      5  C   LIG    1       -0.770   2.493   0.373  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1       -1.408   3.121  -0.879  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -2.908   2.840  -1.049  0.00  0.00    +0.144 C 
ATOM      8  N   LIG    1       -3.286   1.440  -0.986  0.00  0.00    -0.270 N 
ATOM      9  N   LIG    1       -4.301   1.065  -0.188  0.00  0.00    -0.167 NA
ATOM     10  C   LIG    1       -4.197  -0.281  -0.110  0.00  0.00    +0.173 A 
ATOM     11  C   LIG    1       -3.107  -0.729  -0.908  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -2.495  -2.048  -0.892  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -1.102  -2.244  -0.659  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -0.909  -3.610  -0.491  0.00  0.00    +0.141 A 
ATOM     15  N   LIG    1       -2.107  -4.235  -0.717  0.00  0.00    -0.316 N 
ATOM     16  H   LIG    1       -2.252  -5.231  -0.663  0.00  0.00    +0.169 HD
ATOM     17  N   LIG    1        0.234  -4.231  -0.151  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        1.267  -3.369   0.049  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        1.229  -1.980  -0.108  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.380  -1.125   0.135  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        2.511   0.099   0.883  0.00  0.00    +0.089 A 
ATOM     22  N   LIG    1        3.792   0.508   0.886  0.00  0.00    -0.173 NA
ATOM     23  N   LIG    1        4.433  -0.344   0.075  0.00  0.00    -0.256 N 
ATOM     24  C   LIG    1        5.839  -0.138  -0.198  0.00  0.00    +0.174 C 
ATOM     25  C   LIG    1        3.639  -1.344  -0.401  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1        0.021  -1.413  -0.500  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.072  -3.292  -0.938  0.00  0.00    +0.202 A 
ATOM     28  F   LIG    1       -4.372  -3.556  -1.126  0.00  0.00    -0.185 F 
ATOM     29  C   LIG    1       -2.635   0.389  -1.556  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1        1.476   0.862   1.699  0.00  0.00    +0.165 C 
ENDROOT
BRANCH  10  31
ATOM     31  C   LIG    1       -5.086  -1.103   0.786  0.00  0.00    +0.437 C 
ATOM     32  F   LIG    1       -5.998  -1.826   0.083  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1       -5.795  -0.349   1.672  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       -4.377  -1.990   1.538  0.00  0.00    -0.164 F 
ENDBRANCH  10  31
BRANCH  25  35
ATOM     35  C   LIG    1        4.096  -2.360  -1.283  0.00  0.00    +0.119 C 
ATOM     36  N   LIG    1        4.497  -3.185  -1.991  0.00  0.00    -0.189 NA
ENDBRANCH  25  35
TORSDOF 2