REMARK  Name = BDB023885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.391   3.287   5.181  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.115   2.569   3.960  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -2.257   2.037   3.964  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.144   1.929   3.312  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.764   1.247   2.161  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.608   1.710   1.361  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.283   0.722   0.299  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -1.167   0.628  -0.571  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.273  -0.447  -1.369  0.00  0.00    -0.170 NA
ATOM     10  N   LIG    1       -2.437  -1.032  -1.016  0.00  0.00    -0.264 N 
ATOM     11  C   LIG    1       -3.080  -0.353  -0.027  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.360  -0.682   0.645  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.845   0.559   1.424  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -5.298   1.960   3.728  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -0.018   1.528  -0.653  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        1.302   1.082  -0.421  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        1.611  -0.359  -0.096  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        2.921  -0.498   0.677  0.00  0.00    +0.110 C 
ATOM     19  N   LIG    1        4.017   0.141  -0.056  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1        3.822   1.569  -0.348  0.00  0.00    +0.140 C 
ATOM     21  C   LIG    1        2.376   1.988  -0.540  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        2.111   3.334  -0.851  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        0.807   3.775  -1.062  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -0.251   2.875  -0.969  0.00  0.00    +0.010 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.290  -0.351   0.045  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        6.444   0.254  -0.397  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        7.467  -0.599  -0.101  0.00  0.00    -0.273 N 
ATOM     28  C   LIG    1        8.868  -0.403  -0.380  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.068  -1.727   0.512  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1        5.741  -1.580   0.587  0.00  0.00    +0.157 A 
ENDBRANCH  19  25
ENDBRANCH   8  15
BRANCH  10  31
ATOM     31  C   LIG    1       -2.844  -2.267  -1.672  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -2.930  -2.113  -3.191  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -3.421  -3.408  -3.831  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1       -3.162  -4.562  -3.027  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -1.895  -4.499  -2.381  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1       -1.931  -3.441  -1.287  0.00  0.00    +0.055 C 
ENDBRANCH  10  31
TORSDOF 3