REMARK  Name = BDB046912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.397  -1.334   0.311  0.00  0.00    +0.180 A 
ATOM      2  C   LIG    1        3.122  -0.142   0.463  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        4.491  -0.293   0.743  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        5.308   0.923   0.916  0.00  0.00    +0.259 A 
ATOM      5  N   LIG    1        4.644   2.110   0.787  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1        5.195   2.949   0.904  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        3.314   2.178   0.515  0.00  0.00    +0.200 A 
ATOM      8  O   LIG    1        6.508   0.875   1.159  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        5.102  -1.540   0.864  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.308  -2.646   0.699  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        2.557   1.148   0.354  0.00  0.00    -0.233 NA
ATOM     12  N   LIG    1        2.993  -2.567   0.430  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -1.157  -0.859  -0.417  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1        0.087  -0.316  -0.172  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        0.983  -1.353   0.021  0.00  0.00    -0.220 N 
ATOM     16  N   LIG    1        0.334  -2.553  -0.101  0.00  0.00    -0.173 NA
ATOM     17  C   LIG    1       -0.934  -2.244  -0.359  0.00  0.00    +0.138 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -2.440  -0.146  -0.683  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.230   0.128   0.611  0.00  0.00    +0.088 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.504   0.045  -0.278  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -4.523   0.820   0.476  0.00  0.00    -0.308 NA
ATOM     22  C   LIG    1       -4.389   2.169  -0.066  0.00  0.00    +0.104 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  15
TORSDOF 4