REMARK  Name = BDB002337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.971  -0.411  -1.340  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.143  -0.989  -1.968  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.439  -0.339  -1.752  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.506   0.668  -2.891  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.944  -0.155  -4.054  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.010  -1.174  -3.407  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.961   0.721  -0.851  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.745   0.098  -0.299  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.582   1.187  -0.167  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.673   1.834  -0.942  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.358  -0.555   0.672  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.864   1.747   1.151  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        4.201   2.472   1.153  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        4.364   3.720   1.789  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        5.628   4.333   1.805  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.730   3.704   1.228  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.580   2.461   0.620  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.201   4.443   2.415  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        2.054   3.505   2.779  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        5.328   1.848   0.588  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.688   2.640   1.580  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.196  -1.343  -1.203  0.00  0.00    +0.159 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -1.926  -2.590   0.917  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.391  -1.480   0.237  0.00  0.00    -0.303 N 
ATOM     25  H   LIG    1       -2.425  -0.603   0.751  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -1.517  -3.596   0.341  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -2.012  -2.464   2.456  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -0.877  -1.577   2.968  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -3.149  -4.559   2.955  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -1.917  -3.790   3.109  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -1.165  -4.304   2.632  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -3.420  -0.705  -1.885  0.00  0.00    +0.034 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -4.642  -1.649  -1.971  0.00  0.00    -0.015 C 
ATOM     34  C   LIG    1       -5.451  -1.680  -0.672  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -5.562  -1.210  -3.118  0.00  0.00    +0.007 C 
ENDBRANCH  32  33
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 8