REMARK  Name = BDB029591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.691  -0.547   0.255  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.129   0.440   0.851  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.352   1.121   1.780  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.714   2.432   2.296  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.076   3.365   1.155  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.470   3.335   0.882  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.069   2.143   0.601  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.431   2.318   0.303  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        5.259   1.243  -0.028  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        4.753  -0.051  -0.068  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        3.393  -0.223   0.228  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.537   0.852   0.574  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        5.503  -1.178  -0.432  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        5.321  -1.994   0.146  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.759  -1.326  -1.022  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1        7.450  -2.434  -0.670  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1        8.665  -2.598  -1.247  0.00  0.00    +0.132 A 
ATOM     18  C   LIG    1        9.185  -1.698  -2.159  0.00  0.00    +0.130 A 
ATOM     19  N   LIG    1        8.509  -0.597  -2.543  0.00  0.00    -0.258 NA
ATOM     20  C   LIG    1        7.290  -0.443  -1.962  0.00  0.00    +0.154 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1       -1.027   0.658   2.008  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.006   1.146   0.923  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.098   2.584   0.980  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.652   2.858   0.227  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.426   0.560   1.114  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.531  -0.907   1.143  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.922  -1.342   1.381  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.830  -1.258   0.171  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.299  -1.262  -1.133  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.162  -1.219  -2.236  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.544  -1.195  -2.048  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.073  -1.210  -0.760  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.805  -1.249  -1.346  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.221  -1.245   0.345  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.023  -1.579  -0.066  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7