REMARK  Name = BDB012652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242  -3.686   1.418  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.556  -2.493   1.567  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.747  -1.502   0.626  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.580  -0.587   1.264  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.909  -1.032   2.534  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.272  -2.169   2.682  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.066   0.689   0.737  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        1.471   1.172  -0.390  0.00  0.00    -0.251 NA
ATOM      9  C   LIG    1        1.877   2.361  -0.915  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        2.892   3.085  -0.295  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        3.471   2.570   0.855  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        4.398   3.514   1.189  0.00  0.00    -0.257 N 
ATOM     13  H   LIG    1        5.043   3.534   1.970  0.00  0.00    +0.191 HD
ATOM     14  N   LIG    1        4.404   4.537   0.317  0.00  0.00    -0.067 NA
ATOM     15  N   LIG    1        3.480   4.283  -0.603  0.00  0.00    -0.128 NA
ATOM     16  C   LIG    1        3.085   1.358   1.419  0.00  0.00    +0.059 A 
ENDBRANCH   4   7
BRANCH   3  17
ATOM     17  C   LIG    1        0.159  -1.529  -0.712  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -1.214  -1.324  -0.933  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1       -1.754  -1.425  -2.216  0.00  0.00    +0.084 A 
ATOM     20  C   LIG    1       -0.912  -1.689  -3.288  0.00  0.00    +0.127 A 
ATOM     21  F   LIG    1       -1.425  -1.775  -4.523  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        0.453  -1.867  -3.101  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        0.989  -1.791  -1.814  0.00  0.00    +0.016 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -2.092  -1.076   0.091  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.016   0.298   0.500  0.00  0.00    +0.232 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.366   0.698   1.015  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -4.440   1.162   0.065  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.792   2.143   1.004  0.00  0.00    +0.007 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH   3  17
TORSDOF 5