REMARK  Name = BDB052994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.073  -0.979   0.037  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.893  -2.356   0.588  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.315  -3.000   0.339  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.549  -4.294   0.830  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.430  -4.947   1.575  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.640  -4.309   1.831  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.363  -2.322  -0.442  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.428  -2.899  -0.648  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.059  -1.051  -0.904  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        1.874  -3.019   1.343  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.126  -0.407  -0.662  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.265  -0.293   0.269  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        2.990  -0.788   0.769  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.296   4.176  -0.621  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.419   2.985  -0.519  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        2.180   3.017  -1.025  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        1.694   1.793  -0.753  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        0.750   1.544  -1.033  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.576   0.979  -0.094  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.713   1.732   0.075  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -2.065  -0.296  -1.649  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.826   0.667  -0.768  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -3.896   0.214   0.019  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.590   1.098   0.847  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.221   2.440   0.901  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.155   2.901   0.129  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.460   2.019  -0.701  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4