REMARK  Name = BDB062382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.023   0.248  -0.545  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        2.176   1.479   0.056  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.928   2.105   0.019  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.803   3.398   0.576  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.912   4.025   1.165  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1        3.147   3.373   1.175  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.784   5.412   1.725  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.005   1.213  -0.624  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.299   2.094   0.630  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        0.728   0.083  -0.960  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        3.068  -0.749  -0.729  0.00  0.00    +0.124 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.164  -1.695   0.466  0.00  0.00    +0.049 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.349  -2.643   0.341  0.00  0.00    +0.161 C 
BRANCH  13  15
ATOM     14  C   LIG    1        5.283  -4.335  -1.007  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1        4.228  -3.392  -0.865  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  16
ATOM     16  C   LIG    1       -1.449   1.496  -0.853  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.176   0.308  -1.330  0.00  0.00    -0.292 N 
ATOM     18  C   LIG    1       -2.629  -0.705  -0.461  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -3.045  -1.795  -0.871  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.601  -0.433   1.071  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -2.548  -1.645   1.846  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -3.789  -2.033   2.440  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -5.029  -1.565   1.671  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -5.103  -0.102   1.535  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.630   0.290   2.314  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.756   0.496   1.516  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.223   0.173  -2.786  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -3.366  -0.475  -3.518  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -2.005  -1.117  -3.527  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 8