REMARK  Name = BDB029592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.458  -2.004  -0.481  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.453  -1.283   0.522  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.325  -1.248   1.337  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.163  -0.314   2.438  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.485   1.098   1.988  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.848   1.403   2.228  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.805   0.669   1.591  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.077   1.234   1.783  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        5.226   0.672   1.222  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        5.141  -0.482   0.454  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        3.869  -1.046   0.270  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.688  -0.498   0.833  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        6.240  -1.092  -0.172  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        6.254  -2.102  -0.052  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        7.550  -0.654  -0.394  0.00  0.00    +0.145 A 
ATOM     16  N   LIG    1        8.529  -1.583  -0.350  0.00  0.00    -0.134 NA
ATOM     17  N   LIG    1        9.840  -1.242  -0.573  0.00  0.00    -0.156 NA
ATOM     18  C   LIG    1       10.148   0.035  -0.860  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        9.186   1.018  -0.941  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        7.861   0.662  -0.707  0.00  0.00    +0.047 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1       -0.780  -2.174   1.043  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.769  -1.685  -0.045  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.069  -1.257  -1.223  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -0.210  -1.731  -1.247  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.674  -0.538   0.466  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.994  -0.426  -0.199  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.783   0.638   0.457  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.099   0.944  -0.224  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.309   0.603  -1.570  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.523   0.926  -2.191  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.514   1.608  -1.486  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.302   1.967  -0.157  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.256  -0.170  -2.320  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.100   1.639   0.471  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.879  -0.133  -1.638  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7