REMARK  Name = BDB021842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.763   1.092  -0.659  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.071   0.726  -1.006  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.367  -0.611  -0.844  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.585  -1.242  -0.842  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.880   1.552  -1.424  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.959  -0.858   0.311  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.055  -1.518  -0.637  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.044  -0.526  -1.213  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.258   0.171  -0.095  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.239   0.801   0.903  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.225  -0.246   1.425  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.082  -1.730   0.717  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        3.701  -2.849   1.697  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.267  -0.917   1.296  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.264  -0.204  -0.948  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.765   0.238   0.419  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.633  -1.226  -0.947  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.665  -2.626  -0.981  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -4.882  -3.309  -1.072  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -6.087  -2.601  -1.130  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -6.061  -1.204  -1.069  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -4.840  -0.524  -0.979  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.355  -3.371  -1.229  0.00  0.00    +0.242 C 
ATOM     24  O   LIG    1       -7.412  -4.556  -0.924  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -8.456  -2.720  -1.712  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -8.387  -1.853  -2.224  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -9.268  -3.298  -1.887  0.00  0.00    +0.145 HD
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  28
ATOM     28  C   LIG    1       -0.361   2.465  -1.004  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.408   3.442   0.153  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.539   3.549   0.976  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.573   4.470   2.025  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.483   5.304   2.258  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.640   5.224   1.438  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.675   4.304   0.389  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8