REMARK  Name = BDB018362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836   4.332  -2.236  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.411   3.035  -1.916  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.729   2.775  -2.255  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -3.486   3.563  -2.814  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.230   1.428  -1.896  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.451   0.506  -1.296  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -1.037   0.843  -1.008  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.604   2.082  -1.323  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.025  -0.761  -0.941  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -2.995  -1.363   0.297  0.00  0.00    +0.118 A 
ATOM     11  N   LIG    1       -3.652  -2.555   0.157  0.00  0.00    -0.257 N 
ATOM     12  N   LIG    1       -4.123  -2.758  -1.091  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1       -3.751  -1.659  -1.754  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.795  -3.594   1.164  0.00  0.00    +0.261 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.666  -3.177   2.263  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1       -5.332  -2.860   3.159  0.00  0.00    -0.195 NA
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.118  -0.101  -0.437  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.706   0.116   0.646  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1        1.420  -1.039   0.820  0.00  0.00    -0.267 N 
ATOM     20  N   LIG    1        1.082  -2.009  -0.058  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        0.168  -1.424  -0.839  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.420  -1.299   1.848  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.686  -0.515   1.608  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        4.074   0.505   2.490  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.247   1.227   2.263  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.043   0.938   1.157  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.669  -0.074   0.275  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.498  -0.798   0.499  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   7  17
TORSDOF 6