REMARK  Name = BDB018687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.081   0.335   0.310  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.002  -0.342  -0.285  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.283  -0.284   0.271  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.424  -1.074  -0.313  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        2.775  -0.394  -0.060  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        3.938  -1.294  -0.510  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        4.923  -0.404  -1.199  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        4.464   0.997  -1.052  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        2.891  -0.031   1.422  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        1.765   0.484   2.013  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        1.889   0.854   2.948  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        3.943  -0.080   2.054  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.955   0.872  -0.912  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        0.491   0.446   1.443  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.565   1.107   2.061  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.841   1.057   1.491  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -5.334  -1.007  -1.106  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -4.051  -0.953  -0.545  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.429   0.279  -0.280  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1       -4.130   1.455  -0.593  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -5.409   1.407  -1.153  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.011   0.177  -1.410  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1       -6.445  -3.303  -1.579  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1       -5.950  -2.275  -1.367  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  C   LIG    1        6.201  -0.745  -1.413  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        7.303  -1.042  -1.607  0.00  0.00    -0.174 NA
ENDBRANCH   7  25
TORSDOF 3