REMARK  Name = BDB011109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.333   0.994   0.857  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -1.213   0.026   0.468  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.708  -0.028   0.377  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.838  -1.209  -0.597  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -1.697  -2.079  -0.280  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.511  -3.197  -1.185  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -2.844  -3.985  -1.206  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -3.994  -3.147  -1.483  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -4.103  -2.062  -0.528  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.676  -1.174   0.036  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        0.625  -1.425  -0.040  0.00  0.00    -0.199 NA
ATOM     12  C   LIG    1        1.444  -0.432   0.334  0.00  0.00    +0.220 A 
ATOM     13  N   LIG    1        0.997   0.767   0.771  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -1.370   4.814   2.252  0.00  0.00    +0.213 A 
ATOM     15  N   LIG    1       -0.327   4.710   1.429  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1       -0.012   3.462   1.010  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1       -0.708   2.317   1.349  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -1.763   2.564   2.206  0.00  0.00    +0.126 A 
ATOM     19  N   LIG    1       -2.125   3.788   2.652  0.00  0.00    -0.222 NA
BRANCH  14  20
ATOM     20  N   LIG    1       -1.722   6.074   2.683  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -1.379   6.767   2.034  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -2.702   6.098   2.923  0.00  0.00    +0.145 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1        2.805  -0.641   0.293  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        3.693   0.497   0.525  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        5.152   0.016   0.528  0.00  0.00    +0.179 C 
ATOM     26  O   LIG    1        5.558  -0.613  -0.698  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        4.479  -1.247  -1.401  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        3.345  -1.752  -0.492  0.00  0.00    +0.136 C 
ENDBRANCH  12  23
TORSDOF 3