REMARK  Name = BDB018832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.143   1.203  -0.096  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.777   0.976  -0.079  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.033  -0.093   0.356  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.382   0.202   0.096  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.421  -0.680   0.414  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        2.068  -1.889   1.026  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.729  -2.189   1.302  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.522   1.522  -0.600  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.292  -1.292   0.968  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.102   2.068  -0.526  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.572   2.303  -0.471  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.822  -0.378   0.124  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.490  -0.969  -0.948  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        5.785  -0.735  -1.271  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        6.456   0.134  -0.486  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.893   0.776   0.604  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.560   0.514   0.910  0.00  0.00    +0.011 A 
ENDBRANCH   5  12
BRANCH   1  19
ATOM     18  N   LIG    1       -4.537   0.580   0.475  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -3.126   0.091   0.276  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -3.239  -0.920  -0.872  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -4.685  -1.376  -0.828  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.432  -0.101  -0.481  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -5.236   2.338   2.100  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -4.904   1.540   1.330  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3