REMARK  Name = BDB002316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.001  -1.119  -0.293  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.431  -1.253  -1.597  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.847  -1.591  -1.882  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.837  -2.111  -3.331  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.397  -2.535  -3.560  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.374  -1.477  -2.792  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.822  -1.260   0.625  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.847  -0.408  -1.724  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        2.831   0.166  -0.463  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        2.249  -0.319   0.217  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        3.635  -0.117  -2.622  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.565   1.290   0.001  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        3.550   1.624   1.395  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        4.253   2.771   1.841  0.00  0.00    +0.073 A 
ATOM     15  N   LIG    1        4.294   3.166   3.126  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        3.639   2.430   4.045  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.930   1.291   3.740  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.945   3.541   0.924  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.968   3.221  -0.429  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.889   0.887   2.409  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.280   2.102  -0.886  0.00  0.00    +0.024 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.487  -0.847   0.080  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.198   0.881  -0.679  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.202  -0.025  -0.900  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -1.694   0.245  -1.732  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -3.430   1.700  -1.574  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -4.011   0.863   0.631  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -5.355   0.192   0.355  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -3.049   2.875   1.611  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -4.259   2.244   1.099  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -4.593   2.785   0.294  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.257  -2.126   0.509  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -1.622  -2.788   1.737  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -2.441  -3.166  -0.594  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7