REMARK  Name = BDB016213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.696  -1.456   0.901  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        2.149  -1.438   2.240  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.200  -1.171   3.237  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.156  -0.995   2.930  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.616  -1.069   1.610  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        0.329  -1.316   0.603  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.046  -0.880   1.280  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.517   0.124   0.371  0.00  0.00    +0.060 A 
ATOM      9  N   LIG    1       -1.560   0.975  -0.190  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -0.737   1.085   0.400  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -1.832   2.180  -0.952  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -2.668   1.879  -2.171  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1       -4.122   1.759  -1.859  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.565   0.939  -0.877  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -5.577   0.896  -0.881  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -4.962   2.363  -2.535  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -2.337   3.312  -0.061  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -3.892   0.124   0.057  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1       -4.719  -0.772   0.751  0.00  0.00    +0.135 A 
ATOM     20  N   LIG    1       -4.311  -1.684   1.655  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1       -2.986  -1.727   1.878  0.00  0.00    +0.121 A 
ENDBRANCH   5   7
BRANCH   1  22
ATOM     22  C   LIG    1        2.661  -1.630  -0.229  0.00  0.00    +0.074 C 
ATOM     23  N   LIG    1        3.660  -2.454  -0.117  0.00  0.00    -0.298 NA
ATOM     24  H   LIG    1        4.244  -2.432  -0.962  0.00  0.00    +0.187 HD
BRANCH  22  26
ATOM     25  C   LIG    1        2.355   0.519  -1.339  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        2.426  -0.819  -1.462  0.00  0.00    +0.031 C 
BRANCH  25  28
ATOM     27  C   LIG    1        2.548   2.826  -2.270  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        2.108   1.450  -2.327  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1        2.152   1.020  -3.264  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1        2.294  -1.495  -2.779  0.00  0.00    +0.112 C 
ATOM     31  N   LIG    1        2.272  -0.906  -3.932  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1        2.171  -1.611  -4.673  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   2  33
ATOM     33  N   LIG    1        3.526  -1.523   2.531  0.00  0.00    -0.346 N 
ATOM     34  H   LIG    1        3.984  -2.009   1.743  0.00  0.00    +0.146 HD
ATOM     35  C   LIG    1        3.925  -2.101   3.803  0.00  0.00    +0.125 C 
ENDBRANCH   2  33
TORSDOF 6