REMARK  Name = BDB022416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.188   1.124  -1.492  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.252   0.118  -1.798  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.747   0.291  -2.776  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1        0.793   1.501  -3.479  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.117   2.516  -3.193  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.092   2.330  -2.209  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.082   0.411   1.554  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -2.787  -0.100   1.558  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -1.859   0.123   0.594  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -2.219   0.906  -0.456  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -3.499   1.454  -0.541  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.432   1.207   0.472  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.257   0.469   2.776  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1       -4.940   0.097   2.630  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -4.555  -0.504   3.346  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -6.948   1.089   1.978  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1       -6.269  -0.132   5.216  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -6.890  -0.013   4.035  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1        1.734  -0.839  -3.062  0.00  0.00    +0.105 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.188  -0.333  -3.034  0.00  0.00    +0.226 C 
ATOM     21  N   LIG    1        3.849  -0.084  -1.867  0.00  0.00    -0.268 N 
ATOM     22  H   LIG    1        4.761   0.326  -2.006  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        3.803  -0.083  -4.080  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.456  -0.274  -0.565  0.00  0.00    +0.147 A 
ATOM     25  N   LIG    1        2.344  -0.893  -0.172  0.00  0.00    -0.158 NA
ATOM     26  N   LIG    1        2.335  -0.765   1.163  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1        1.530  -1.106   1.677  0.00  0.00    +0.189 HD
ATOM     28  C   LIG    1        3.462  -0.176   1.647  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        4.216   0.160   0.551  0.00  0.00    +0.068 A 
BRANCH  28  30
ATOM     30  C   LIG    1        3.788   0.106   3.127  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1        5.078  -0.416   3.702  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        3.773  -1.036   4.107  0.00  0.00    +0.010 C 
ENDBRANCH  28  30
ENDBRANCH  21  24
ENDBRANCH  19  20
BRANCH  19  33
ATOM     33  C   LIG    1        1.382  -1.472  -4.429  0.00  0.00    +0.014 C 
ATOM     34  C   LIG    1        2.099  -2.798  -4.659  0.00  0.00    +0.005 C 
ENDBRANCH  19  33
ENDBRANCH   3  19
TORSDOF 8