REMARK  Name = BDB012482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.280   0.918   1.844  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.488  -0.155   1.425  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        2.060  -0.198   0.088  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1        1.304  -1.150  -0.541  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        1.208  -0.770  -1.793  0.00  0.00    +0.203 A 
ATOM      6  N   LIG    1        0.678  -1.504  -2.832  0.00  0.00    -0.252 N 
ATOM      7  H   LIG    1        1.042  -1.344  -3.760  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        0.113  -2.749  -2.666  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.182  -3.585  -3.566  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.710  -3.041  -1.472  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -1.819  -2.235  -1.191  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -2.656  -2.524  -0.101  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -2.353  -3.631   0.704  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.258  -4.451   0.405  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.848  -1.639   0.197  0.00  0.00    +0.182 C 
ATOM     16  N   LIG    1       -3.460  -0.369   0.807  0.00  0.00    -0.225 N 
ATOM     17  N   LIG    1       -2.752   0.498  -0.004  0.00  0.00    -0.168 NA
ATOM     18  C   LIG    1       -2.241   1.552   0.544  0.00  0.00    +0.095 A 
ATOM     19  C   LIG    1       -2.433   1.957   1.944  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -3.126   1.108   2.708  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -1.353   2.366  -0.262  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -0.643   3.555   0.022  0.00  0.00    +0.144 A 
ATOM     23  N   LIG    1        0.196   3.906  -0.958  0.00  0.00    -0.179 NA
ATOM     24  N   LIG    1        0.081   2.899  -1.843  0.00  0.00    -0.269 N 
ATOM     25  C   LIG    1        1.076   2.758  -2.885  0.00  0.00    +0.165 C 
ATOM     26  C   LIG    1        1.603   1.335  -3.129  0.00  0.00    +0.148 C 
ATOM     27  C   LIG    1       -0.943   2.053  -1.549  0.00  0.00    +0.118 A 
ATOM     28  C   LIG    1       -3.655  -0.165   2.165  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -4.227  -0.940   2.926  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -0.443  -4.166  -0.693  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1        1.774   0.482  -1.966  0.00  0.00    -0.310 N 
ATOM     32  C   LIG    1        2.415   0.819  -0.793  0.00  0.00    +0.070 A 
ATOM     33  C   LIG    1        3.214   1.897  -0.400  0.00  0.00    +0.031 A 
ATOM     34  C   LIG    1        3.634   1.921   0.937  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  36
ATOM     35  C   LIG    1        3.465   0.089   4.065  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        3.769   1.100   3.111  0.00  0.00    -0.495 OA
ENDBRANCH   1  36
TORSDOF 1