REMARK  Name = BDB018913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.617   2.128  -1.155  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        4.872   1.146  -0.405  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        4.960   0.199  -0.736  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        3.619   1.464   0.062  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        2.981   0.443   0.751  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        1.644   0.698   1.272  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1        0.616  -0.297   0.786  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.773  -1.688   0.823  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.245  -2.514   0.327  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.429  -1.980  -0.182  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.626  -0.598  -0.209  0.00  0.00    -0.015 A 
ATOM     12  O   LIG    1        1.853  -2.397   1.268  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        2.828  -1.719   2.051  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.596   0.225   0.274  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.671  -0.766   1.208  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        3.127   2.576  -0.110  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.865  -0.021  -0.732  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.106  -0.265  -0.119  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1       -5.306   0.261  -0.586  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -6.283  -0.232   0.309  0.00  0.00    +0.142 A 
ATOM     21  N   LIG    1       -5.763  -0.998   1.271  0.00  0.00    -0.181 NA
ATOM     22  C   LIG    1       -5.303   1.083  -1.724  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -4.084   1.354  -2.354  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -4.447  -0.990   0.995  0.00  0.00    -0.276 N 
ATOM     25  H   LIG    1       -3.821  -1.501   1.607  0.00  0.00    +0.189 HD
ATOM     26  C   LIG    1       -2.892   0.814  -1.865  0.00  0.00    +0.010 A 
ENDBRANCH  11  17
TORSDOF 1