REMARK  Name = BDB021081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.126  -0.754  -1.564  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        1.164  -0.422  -1.072  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.197  -0.025  -1.945  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.467   0.319  -1.439  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.749   0.273  -0.067  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.729  -0.146   0.792  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.000  -0.015  -3.440  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.538  -0.148  -3.833  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.466  -0.491   0.297  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.133  -1.202  -2.962  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -3.463   3.922   2.419  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.425   3.284   1.531  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -2.525   1.914   1.318  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -1.448   1.298   0.532  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -1.840  -0.050   0.047  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -2.998  -0.677   0.434  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.110  -1.846  -0.259  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -2.086  -2.010  -1.066  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -3.955  -0.101   1.350  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.273  -0.925  -0.858  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -3.310   1.012   2.167  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -1.544   3.975   1.020  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -4.291  -2.852  -0.165  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.392  -3.751   1.039  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.000  -4.324  -0.291  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        5.077   0.639   0.448  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1        5.640   1.890   0.170  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        6.894   2.191   0.679  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        7.622   1.343   1.434  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.068   0.141   1.693  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.820  -0.250   1.232  0.00  0.00    +0.028 A 
ENDBRANCH   5  26
TORSDOF 3