REMARK  Name = BDB012086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.968  -1.841   0.418  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.689  -1.749   1.385  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.152  -1.409  -0.601  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.500  -1.439  -1.778  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.152  -0.906  -0.183  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        2.241  -0.631  -1.010  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.390  -0.924  -2.462  0.00  0.00    +0.066 C 
ATOM      8  N   LIG    1        3.226  -0.067  -0.201  0.00  0.00    -0.236 N 
ATOM      9  N   LIG    1        2.885  -0.178   1.113  0.00  0.00    -0.174 NA
ATOM     10  C   LIG    1        1.629  -0.609   1.106  0.00  0.00    +0.148 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.457   0.576  -0.537  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        4.718   1.077  -1.818  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.936   1.706  -2.098  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.898   1.853  -1.101  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.641   1.381   0.183  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.426   0.754   0.467  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  17
ATOM     17  C   LIG    1       -2.336  -2.251   0.195  0.00  0.00    +0.145 C 
BRANCH  17  24
ATOM     18  C   LIG    1       -5.849   2.053   1.915  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -4.965   0.973   1.375  0.00  0.00    +0.016 A 
ATOM     20  N   LIG    1       -4.244   0.239   2.283  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -4.314   0.445   3.272  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -3.378  -0.770   1.951  0.00  0.00    +0.254 A 
ATOM     23  O   LIG    1       -2.728  -1.364   2.808  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1       -3.250  -1.098   0.492  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -3.964  -0.371  -0.397  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1       -3.942  -0.550  -1.890  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -4.840   0.696   0.069  0.00  0.00    +0.024 A 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 4