REMARK  Name = BDB047653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.771   1.294   0.822  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.406   1.497   0.568  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.499   0.436   0.771  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -0.003  -0.783   1.235  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.070  -1.645   1.338  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.004  -2.604   1.648  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.239  -1.026   0.971  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.554  -1.507   0.925  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.106  -2.872   1.228  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.601  -2.559   1.387  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.898  -1.349   0.489  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.579  -0.649   0.502  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.273   0.636   0.134  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -5.143   1.712  -0.356  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -6.343   1.648  -0.532  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -4.336   2.805  -0.579  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -4.719   3.678  -0.914  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.950   2.559  -0.269  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -2.959   1.129   0.183  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        1.351  -0.994   1.523  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.913   0.288   0.608  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        2.232   0.073   1.320  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  24
ATOM     23  O   LIG    1        2.381   3.553   0.993  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        2.692   2.432   0.602  0.00  0.00    +0.244 C 
ATOM     25  N   LIG    1        3.890   2.248  -0.047  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        4.378   3.130  -0.157  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.245   1.173  -0.968  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.545   0.491  -0.561  0.00  0.00    +0.164 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.879  -0.598  -1.449  0.00  0.00    -0.250 N 
ATOM     30  N   LIG    1        5.226  -1.768  -1.356  0.00  0.00    -0.066 NA
ATOM     31  N   LIG    1        5.727  -2.576  -2.281  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1        6.707  -1.897  -2.949  0.00  0.00    +0.156 A 
ATOM     33  C   LIG    1        6.821  -0.629  -2.431  0.00  0.00    +0.130 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  24
TORSDOF 4