REMARK  Name = BDB048330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.557   4.625   2.820  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        1.428   4.147   1.943  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.387   2.794   1.633  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.320   2.385   0.698  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.142   0.910   0.706  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.827   0.080   0.078  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.585  -1.208   0.351  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        0.515  -1.209   1.133  0.00  0.00    -0.260 N 
ATOM      9  C   LIG    1        0.983   0.045   1.370  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        2.152   0.453   2.182  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        2.550   1.889   1.779  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.582   4.944   1.536  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -1.826   0.595  -0.681  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -1.876   1.603  -0.758  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.882  -0.019  -1.394  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -3.771   0.801  -2.114  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.835   0.266  -2.859  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -5.784   1.172  -3.585  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.028  -1.116  -2.866  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -4.158  -1.945  -2.162  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.094  -1.399  -1.437  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        1.032  -2.471   1.638  0.00  0.00    +0.199 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.190  -2.958   0.807  0.00  0.00    +0.063 A 
ATOM     24  N   LIG    1        3.407  -3.015   1.413  0.00  0.00    -0.258 NA
ATOM     25  C   LIG    1        4.448  -3.462   0.675  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        4.344  -3.859  -0.646  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.096  -3.796  -1.253  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        2.003  -3.343  -0.521  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4