REMARK  Name = BDB039152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.944   2.069   2.107  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.120   2.065   0.995  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.212   0.933   0.843  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.174   1.097  -0.238  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.129   2.242  -1.067  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.146   2.374  -2.057  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.193   1.376  -2.277  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.251   0.242  -1.459  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.516  -0.902  -1.369  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.043  -1.716  -0.402  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.075  -1.119   0.161  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.119   3.358  -0.844  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.216   0.089  -0.469  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.405   2.850  -0.200  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.855   1.268   3.030  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.431  -3.102  -0.043  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.678  -4.142  -0.309  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        1.484  -4.466   0.945  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        0.602  -5.032   2.060  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.841  -4.531   2.012  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.934  -3.132   1.414  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        6.734   3.104   3.206  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.872   3.065   2.069  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.634  -1.228  -2.230  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.023  -1.183  -1.577  0.00  0.00    +0.026 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.670   0.190  -1.252  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.051   0.975  -0.073  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -3.823   2.274   0.245  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -4.736   2.754  -0.880  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -4.084   2.542  -2.233  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -3.815   1.065  -2.516  0.00  0.00    +0.004 C 
BRANCH  27  32
ATOM     32  C   LIG    1       -2.949   0.194   1.222  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -2.103   0.351   2.086  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -3.962  -0.667   1.429  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -3.772  -1.023   2.323  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7