REMARK  Name = BDB002317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.557   0.363   0.883  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.740   0.000   1.184  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.757   1.038   1.440  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.812   0.327   2.292  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.668  -1.139   1.899  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.169  -1.289   1.705  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.846   1.533   0.612  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.398   1.605   0.157  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.253   0.802  -0.953  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        1.502   0.129  -0.895  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        3.081   2.627   0.162  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.649   1.243  -2.279  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.840   0.079  -3.238  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        2.908   0.371  -4.615  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        3.120  -0.653  -5.545  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.264  -1.970  -5.113  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.220  -2.266  -3.753  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.824   1.811  -5.049  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        1.700   2.542  -4.321  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        3.021  -1.248  -2.819  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.592   2.224  -2.825  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.659  -0.726   0.901  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.689  -0.166   1.782  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -3.075   0.717   1.468  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1       -2.631  -0.381   3.144  0.00  0.00    +0.230 C 
ATOM     26  O   LIG    1       -1.861  -1.207   3.636  0.00  0.00    -0.274 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -3.663   0.411   3.996  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -3.795   1.882   3.604  0.00  0.00    +0.034 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -3.376   0.230   5.443  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -3.160  -0.764   5.574  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -2.228   0.995   5.920  0.00  0.00    +0.101 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  C   LIG    1       -2.225  -0.982  -0.519  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -1.130  -1.500  -1.460  0.00  0.00    +0.010 C 
BRANCH  32  35
ATOM     34  C   LIG    1       -4.105  -2.197  -1.792  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -3.411  -1.974  -0.455  0.00  0.00    +0.002 C 
ENDBRANCH  32  35
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 8