REMARK  Name = BDB052998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.592  -0.085  -1.229  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -2.814  -0.348  -2.676  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.697  -0.401  -3.500  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.848  -0.642  -4.877  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.114  -0.843  -5.423  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.233  -0.814  -4.597  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.347  -0.221  -2.936  0.00  0.00    +0.280 A 
ATOM      8  O   LIG    1        0.591  -0.235  -3.731  0.00  0.00    -0.265 OA
ATOM      9  N   LIG    1       -0.272  -0.032  -1.551  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1       -4.087  -0.572  -3.228  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -1.386   0.041  -0.745  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.968   0.134  -0.836  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.975   0.666   0.462  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.164   0.828   1.188  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.408   0.464   0.650  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1        3.402  -0.066  -0.647  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        2.208  -0.226  -1.372  0.00  0.00    +0.028 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.694   0.653   1.470  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1        5.975   0.197   0.735  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        4.874   2.147   1.817  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1        4.602  -0.164   2.777  0.00  0.00    +0.015 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  N   LIG    1       -3.695   0.030  -0.385  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1       -4.587   0.206  -0.831  0.00  0.00    +0.155 HD
BRANCH  22  29
ATOM     24  C   LIG    1       -4.768   0.241   4.480  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -4.129   0.108   3.149  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1       -2.825  -0.180   3.055  0.00  0.00    -0.178 NA
ATOM     27  N   LIG    1       -2.601  -0.221   1.729  0.00  0.00    -0.264 N 
ATOM     28  H   LIG    1       -1.670  -0.428   1.381  0.00  0.00    +0.190 HD
ATOM     29  C   LIG    1       -3.713   0.036   0.973  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1       -4.729   0.248   1.873  0.00  0.00    +0.068 A 
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 4