REMARK  Name = BDB062345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.680  -0.175  -0.490  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.485   0.025   0.153  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.491  -0.749  -0.257  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.808  -0.761   0.226  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.548  -1.724  -0.495  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.651  -2.304  -1.414  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.960  -3.329  -2.368  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.729  -1.999  -0.356  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.409  -1.693  -1.253  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.205  -1.840  -1.857  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.851  -1.084  -1.482  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.297   0.115   1.273  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.348   1.105   0.747  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -5.315   1.537   1.842  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -4.638   1.586   3.094  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -4.284   0.288   3.575  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.846  -0.667   2.467  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.722   0.643  -0.058  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.367   1.235   0.679  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        3.291   2.712   1.255  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.863   1.771   0.227  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.076   0.773  -0.390  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.704  -0.043  -1.338  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        5.068   0.115  -1.663  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.846   1.096  -1.050  0.00  0.00    +0.075 A 
ATOM     26  N   LIG    1        7.144   1.269  -1.338  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1        7.675   0.445  -2.256  0.00  0.00    +0.221 A 
ATOM     28  N   LIG    1        7.034  -0.531  -2.910  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        5.732  -0.672  -2.594  0.00  0.00    +0.122 A 
ATOM     30  C   LIG    1        5.226   1.909  -0.114  0.00  0.00    +0.033 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3