REMARK  Name = BDB052594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.765  -1.365  -0.341  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.790  -0.390  -0.181  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.572  -0.946  -0.687  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.888  -2.226  -1.115  0.00  0.00    +0.233 A 
ATOM      5  N   LIG    1       -0.064  -3.129  -1.658  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        1.180  -2.654  -1.753  0.00  0.00    +0.227 A 
ATOM      7  N   LIG    1        1.628  -1.436  -1.395  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        0.764  -0.541  -0.856  0.00  0.00    +0.133 A 
ATOM      9  O   LIG    1       -2.209  -2.473  -0.917  0.00  0.00    -0.436 OA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.941  -1.738   0.513  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.122  -0.995   1.360  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.756  -0.874   1.087  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.191  -1.490  -0.039  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -5.030  -2.242  -0.876  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -6.395  -2.364  -0.604  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1       -2.028   0.928   0.374  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.392   1.313   1.561  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.607   2.587   2.091  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.456   3.479   1.440  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.092   3.102   0.257  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.878   1.831  -0.277  0.00  0.00    +0.008 A 
ENDBRANCH   2  16
BRANCH   8  22
ATOM     22  N   LIG    1        1.215   0.726  -0.485  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        0.467   1.413  -0.472  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.467   1.190  -1.061  0.00  0.00    +0.104 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.646   0.773  -0.184  0.00  0.00    +0.040 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.963   1.231  -0.800  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  N   LIG    1        6.103   0.885   0.023  0.00  0.00    -0.337 N 
ATOM     28  C   LIG    1        6.682   1.685   0.965  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1        7.713   1.094   1.526  0.00  0.00    -0.244 NA
ATOM     30  C   LIG    1        7.799  -0.134   0.920  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1        6.809  -0.283  -0.022  0.00  0.00    +0.106 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7