REMARK  Name = BDB018663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.658  -0.303   0.383  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.593   0.579   0.949  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        2.959   0.299   0.893  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        3.870   1.184   1.476  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        3.532   1.931   2.071  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        5.231   1.057   1.393  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        5.761   0.074   0.357  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        5.802   0.776  -1.008  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        6.886   0.087  -1.766  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        7.742  -0.660  -0.812  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        4.895  -1.195   0.329  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        7.243  -0.258   0.569  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        5.957   1.784   2.068  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        3.425  -0.872   0.290  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        2.504  -1.764  -0.265  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        1.137  -1.476  -0.225  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -3.595   0.553   0.513  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -2.669   1.469  -0.012  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -1.294   1.197  -0.060  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -0.783  -0.009   0.429  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -1.693  -0.922   0.973  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.068  -0.640   1.020  0.00  0.00    +0.024 A 
BRANCH  17  27
ATOM     23  C   LIG    1       -8.423   0.007  -0.489  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -7.162  -0.709  -0.672  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1       -6.542  -1.062   0.626  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -5.890   0.114   1.395  0.00  0.00    +0.120 C 
ATOM     27  N   LIG    1       -4.953   0.879   0.548  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1       -5.562   1.293  -0.738  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.196   0.083  -1.470  0.00  0.00    +0.103 C 
ENDBRANCH  17  27
ENDBRANCH   1  20
BRANCH   9  30
ATOM     30  C   LIG    1        7.231   0.381  -3.026  0.00  0.00    +0.169 C 
ATOM     31  N   LIG    1        7.530   0.633  -4.115  0.00  0.00    -0.174 NA
ENDBRANCH   9  30
TORSDOF 3