REMARK  Name = BDB002327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.502   0.789  -0.210  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.677   0.429  -0.834  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1        0.631  -0.428  -1.372  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.566   1.531   0.769  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.998   0.709  -0.248  0.00  0.00    +0.157 C 
ATOM      6  C   LIG    1        2.175   2.167   0.165  0.00  0.00    +0.038 C 
BRANCH   5   7
ATOM      7  C   LIG    1        2.276  -0.306   0.888  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1        3.490  -0.253   1.536  0.00  0.00    -0.235 N 
ATOM      9  H   LIG    1        3.675  -1.006   2.195  0.00  0.00    +0.173 HD
ATOM     10  O   LIG    1        1.474  -1.192   1.199  0.00  0.00    -0.272 OA
BRANCH   8  11
ATOM     11  N   LIG    1        4.602   0.332   0.917  0.00  0.00    -0.264 N 
ATOM     12  H   LIG    1        5.008   1.076   1.490  0.00  0.00    +0.170 HD
BRANCH  11  13
ATOM     13  C   LIG    1        5.600  -0.587   0.499  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        5.309  -1.897   0.089  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        6.317  -2.741  -0.385  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.627  -2.280  -0.484  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.927  -0.970  -0.123  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.918  -0.127   0.351  0.00  0.00    +0.024 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   5   7
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.776   0.215  -0.874  0.00  0.00    +0.161 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.834  -0.528   0.304  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.882   0.433   0.054  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.735   1.169   0.740  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -3.904  -1.582  -0.325  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.806  -0.167   1.449  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -4.142  -0.498   2.783  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -6.913  -0.416   0.267  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -6.065  -0.935   1.335  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -5.807  -1.898   1.096  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -2.020   0.846  -2.264  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.135   0.124  -3.026  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -2.329   2.345  -2.193  0.00  0.00    +0.009 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 9