REMARK  Name = BDB054668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.094   1.602  -0.488  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.059   0.636  -0.082  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.231   1.214   0.215  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -3.077   2.527  -0.078  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.800   2.791  -0.504  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.919  -0.814   0.035  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.386  -1.569  -1.016  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.216  -2.950  -0.879  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.577  -3.594   0.310  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -1.432  -5.082   0.441  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.141  -2.844   1.348  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.309  -1.463   1.212  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -4.156   3.442   0.080  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.005   4.804  -0.214  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.083   5.680  -0.049  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.311   5.205   0.407  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.469   3.853   0.700  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.397   2.972   0.538  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  21
ATOM     19  N   LIG    1        0.983   0.444  -0.243  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        0.459  -0.101   0.429  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        0.318   1.493  -0.849  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1        0.823   2.319  -1.600  0.00  0.00    -0.270 OA
BRANCH  19  26
ATOM     23  C   LIG    1        4.966  -0.909  -0.679  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.527   0.194  -1.414  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.216   0.668  -1.294  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.321   0.045  -0.427  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        2.762  -1.060   0.312  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.075  -1.534   0.189  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        6.269  -1.255  -0.897  0.00  0.00    -0.492 OA
BRANCH  29  31
ATOM     30  C   LIG    1        7.348  -2.138   1.087  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        6.781  -2.439  -0.290  0.00  0.00    +0.225 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 6