REMARK  Name = BDB053260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.429  -0.360   0.431  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.124  -0.674   0.284  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        0.637  -1.834   0.775  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1        1.477  -2.740   1.440  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        2.831  -2.413   1.624  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        3.778  -3.324   2.355  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        3.297  -1.198   1.111  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.789   0.871  -0.119  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        1.933   1.298  -0.467  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1        7.530   1.918  -1.328  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.076   1.921  -1.041  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1        5.354   3.031  -1.227  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1        4.108   2.661  -0.892  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        3.371   3.352  -0.952  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1        3.999   1.358  -0.476  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.274   0.850  -0.576  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.709  -2.152   0.556  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -1.141  -2.502   1.409  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.620  -1.248  -0.164  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -1.185  -1.012  -1.610  0.00  0.00    +0.028 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -1.908   0.034   0.640  0.00  0.00    +0.022 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.939   0.989   0.021  0.00  0.00    +0.005 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.343   0.381  -0.104  0.00  0.00    +0.034 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.400   1.337  -0.698  0.00  0.00    +0.061 C 
ATOM     25  C   LIG    1       -5.606   2.589   0.156  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -6.734   0.602  -0.861  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.970   1.766  -1.992  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -4.908   0.984  -2.565  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1        0.954  -3.978   1.940  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.538  -4.971   2.377  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 10