REMARK  Name = BDB022461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.994   0.551   2.009  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.289   1.650   1.487  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.662   2.345   2.249  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -0.870   1.938   3.578  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.164   0.863   4.119  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.761   0.172   3.338  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.849  -1.540  -0.440  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.598  -2.107  -0.190  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        1.638  -1.443   0.601  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        0.312  -2.116   0.845  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        1.946  -0.189   1.169  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        3.206   0.373   0.909  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        4.145  -0.293   0.116  0.00  0.00    +0.024 A 
BRANCH   7  15
ATOM     14  C   LIG    1        4.797  -3.373  -1.851  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        4.848  -2.146  -1.230  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        5.714  -1.631  -1.311  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        3.900  -4.205  -1.796  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.780  -2.839  -3.302  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.027  -3.714  -2.622  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  C   LIG    1       -1.447   3.533   1.706  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -1.026   4.142   0.367  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.967   3.384   1.826  0.00  0.00    +0.225 C 
ATOM     23  N   LIG    1       -3.735   2.521   1.114  0.00  0.00    -0.268 N 
ATOM     24  H   LIG    1       -4.710   2.581   1.367  0.00  0.00    +0.156 HD
ATOM     25  O   LIG    1       -3.576   4.106   2.633  0.00  0.00    -0.275 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.421   1.559   0.187  0.00  0.00    +0.147 A 
ATOM     27  N   LIG    1       -2.210   1.302  -0.301  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1       -2.386   0.269  -1.138  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -1.576  -0.118  -1.610  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1       -3.685  -0.120  -1.235  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -4.390   0.693  -0.385  0.00  0.00    +0.068 A 
BRANCH  30  32
ATOM     32  C   LIG    1       -4.237  -1.274  -2.096  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1       -5.325  -0.982  -3.095  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -3.936  -1.290  -3.571  0.00  0.00    +0.010 C 
ENDBRANCH  30  32
ENDBRANCH  23  26
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7