REMARK  Name = BDB049374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.917  -1.096  -1.282  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        2.812  -1.870  -1.668  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.522  -1.401  -1.381  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.309  -1.973  -1.660  0.00  0.00    -0.229 NA
ATOM      5  C   LIG    1       -0.605  -1.148  -1.184  0.00  0.00    +0.149 A 
ATOM      6  N   LIG    1       -0.007  -0.045  -0.608  0.00  0.00    -0.324 N 
ATOM      7  C   LIG    1        1.359  -0.185  -0.728  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.442   0.611  -0.336  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.725   0.128  -0.627  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.327   0.346  -3.008  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.319  -0.952  -2.294  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.260  -1.556  -1.565  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.796  -2.747  -1.124  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.301  -3.874  -0.311  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.080  -2.848  -1.562  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.414  -1.722  -2.291  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.677   1.096  -0.003  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.719   1.001   1.532  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.381   2.099   2.246  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -0.648   3.374   2.202  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -1.540   4.537   2.665  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -2.662   4.751   1.798  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -3.117   3.556   1.149  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -2.811   2.270   1.934  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -2.084  -1.355  -1.289  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.612  -1.314   0.035  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.966  -1.454   0.168  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1       -4.427  -1.412   1.487  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -5.788  -1.529   1.769  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.700  -1.691   0.729  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.247  -1.739  -0.589  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.882  -1.621  -0.871  0.00  0.00    +0.045 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7