REMARK  Name = BDB046776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.671  -1.434   1.216  0.00  0.00    -0.422 OA
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1        5.693  -1.008   3.226  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        4.984  -0.713   2.273  0.00  0.00    +0.262 A 
ATOM      4  C   LIG    1        5.461   0.158   1.188  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        4.570   0.429   0.152  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1        5.043   1.254  -0.858  0.00  0.00    +0.139 A 
ATOM      7  N   LIG    1        6.290   1.792  -0.888  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        7.113   1.496   0.142  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        3.264  -0.090   0.110  0.00  0.00    -0.194 NA
ATOM     10  C   LIG    1        2.893  -0.852   1.086  0.00  0.00    +0.304 A 
ATOM     11  C   LIG    1        6.750   0.687   1.201  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1        3.700  -1.166   2.142  0.00  0.00    -0.276 N 
ATOM     13  H   LIG    1        3.341  -1.766   2.869  0.00  0.00    +0.173 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.724  -1.324   0.263  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1       -0.555  -1.782   0.467  0.00  0.00    +0.154 A 
ATOM     16  N   LIG    1       -1.239  -1.511  -0.685  0.00  0.00    -0.268 N 
ATOM     17  N   LIG    1       -0.469  -0.956  -1.641  0.00  0.00    -0.176 NA
ATOM     18  C   LIG    1        0.727  -0.829  -1.055  0.00  0.00    +0.180 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -2.622  -1.839  -0.971  0.00  0.00    +0.147 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.636  -0.695  -0.793  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -3.359   0.515  -1.692  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.514   1.521  -1.659  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.290   1.521  -0.341  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.404   1.139   0.837  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.794  -0.258   0.676  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  14
TORSDOF 4