REMARK  Name = BDB050448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.515  -0.600   0.723  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -0.241  -1.026   0.299  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.400  -2.150   0.819  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.665  -2.274   0.157  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        1.764  -1.216  -0.734  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        2.687  -3.332   0.391  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -0.261  -2.896   1.818  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.525  -2.495   2.260  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        0.602  -0.491  -0.649  0.00  0.00    -0.357 N 
ATOM     10  H   LIG    1        0.385   0.332  -1.196  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -2.139  -1.366   1.723  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.912   0.544  -1.025  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.138   0.597   0.149  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -1.964   1.862   0.748  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -1.154   2.039   2.005  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -2.563   2.983   0.160  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -3.306   2.835  -1.001  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1       -3.481   1.645  -1.587  0.00  0.00    -0.237 NA
BRANCH  17  19
ATOM     19  N   LIG    1       -3.913   3.946  -1.593  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -4.574   4.359  -0.942  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -3.211   4.642  -1.820  0.00  0.00    +0.144 HD
ENDBRANCH  17  19
BRANCH  12  23
ATOM     22  C   LIG    1       -4.511  -1.371  -1.290  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -3.204  -0.747  -1.753  0.00  0.00    +0.053 C 
ENDBRANCH  12  23
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        2.856  -0.817  -1.676  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.649   0.392  -1.180  0.00  0.00    +0.034 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.474   0.091   0.070  0.00  0.00    +0.160 C 
BRANCH  26  27
ATOM     27  O   LIG    1        5.322   1.194   0.397  0.00  0.00    -0.383 OA
ATOM     28  C   LIG    1        4.656   2.202   1.146  0.00  0.00    +0.193 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7