REMARK  Name = BDB021525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.449  -2.520  -2.042  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.207  -2.262  -1.317  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -2.178  -1.499  -0.152  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.031  -0.911   0.441  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -1.198  -0.151   1.635  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.431   0.041   2.251  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.563  -0.526   1.696  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        0.417  -0.940  -0.005  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1        1.267  -0.527   0.794  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1        0.848  -1.381  -1.257  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -0.051  -1.774  -2.324  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -3.415  -1.284   0.523  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -0.998  -2.862  -1.852  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -4.917  -0.347   2.338  0.00  0.00    +0.038 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.754   0.858   1.858  0.00  0.00    -0.007 C 
ATOM     16  C   LIG    1       -5.092   2.211   2.162  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.990   3.377   1.749  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -6.397   3.281   0.282  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -7.041   1.935  -0.038  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -6.143   0.769   0.373  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
BRANCH  10  21
ATOM     21  C   LIG    1        2.255  -1.135  -1.619  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.486   0.283  -2.173  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.793   0.413  -3.434  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.233  -0.167  -4.077  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.977   0.641  -2.417  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.939   0.731  -1.316  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.668  -0.516  -1.056  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.647  -0.422   0.096  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.556   0.612   1.044  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.460   0.659   2.114  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.432  -0.330   2.259  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.515  -1.367   1.333  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.531   1.704   0.871  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.626  -1.415   0.258  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.397   1.306  -0.083  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7