REMARK  Name = BDB029581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.389  -1.345  -1.454  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.485  -1.718  -0.279  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.608  -2.685   0.202  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.531  -3.096   1.595  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.894  -3.508   2.104  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.554  -2.400   2.688  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.958  -1.393   1.863  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.930  -0.599   2.497  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.517   0.496   1.863  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.142   0.840   0.572  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.160   0.054  -0.050  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.538  -1.063   0.571  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -4.722   1.903  -0.139  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -4.164   2.231  -0.921  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -6.008   2.470  -0.086  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -7.120   1.850   0.468  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1       -8.341   2.429   0.553  0.00  0.00    -0.156 NA
ATOM     18  N   LIG    1       -8.510   3.689   0.084  0.00  0.00    -0.158 NA
ATOM     19  C   LIG    1       -7.458   4.334  -0.455  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1       -6.201   3.766  -0.556  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1        0.475  -3.150  -0.679  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.821  -2.421  -0.497  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.369  -2.697   0.803  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        3.014  -1.974   0.953  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        1.740  -0.893  -0.697  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.037  -0.231  -0.400  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.034  -0.507  -1.459  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.309   0.300  -1.325  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.341   1.483  -0.567  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.526   2.226  -0.482  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.668   1.811  -1.167  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.635   0.650  -1.936  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.120   1.914   0.202  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.462  -0.101  -2.017  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        2.841   1.228  -0.294  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7