REMARK  Name = BDB018097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.929  -1.031   1.057  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -2.745  -1.999   1.238  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -1.443  -1.425   0.687  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -1.114  -0.123   1.271  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.141   0.478   1.181  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.381   1.550   1.732  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.180   0.579   1.980  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -3.514   0.436   1.255  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -4.562  -1.211  -0.326  0.00  0.00    +0.168 C 
ATOM     10  O   LIG    1       -3.937  -1.719  -1.257  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1       -8.525   0.101  -1.063  0.00  0.00    +0.214 A 
ATOM     12  N   LIG    1       -8.051   0.206   0.197  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1       -6.781  -0.221   0.410  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1       -5.957  -0.747  -0.577  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -6.485  -0.841  -1.868  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -7.788  -0.411  -2.117  0.00  0.00    +0.068 A 
BRANCH  11  18
ATOM     17  C   LIG    1      -10.503   1.033  -0.228  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1       -9.808   0.514  -1.358  0.00  0.00    -0.480 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1        1.193  -0.277   0.363  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.564   0.417   0.100  0.00  0.00    -0.020 C 
ATOM     21  C   LIG    1        2.363   1.752  -0.640  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        3.313   0.659   1.424  0.00  0.00    +0.012 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.381  -0.571  -0.790  0.00  0.00    +0.081 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.793  -0.136  -1.135  0.00  0.00    +0.113 A 
ATOM     25  N   LIG    1        4.916   0.641  -2.275  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        4.109   0.893  -2.825  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        6.119   1.132  -2.745  0.00  0.00    +0.261 A 
ATOM     28  O   LIG    1        6.201   1.816  -3.759  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        7.236   0.750  -1.920  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1        8.625   1.000  -1.979  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        9.191   0.363  -0.891  0.00  0.00    +0.088 A 
ATOM     32  N   LIG    1        8.185  -0.256  -0.186  0.00  0.00    -0.335 N 
ATOM     33  C   LIG    1        8.355  -1.025   1.023  0.00  0.00    +0.150 C 
ATOM     34  C   LIG    1        6.988  -0.028  -0.809  0.00  0.00    +0.148 A 
ATOM     35  N   LIG    1        5.791  -0.496  -0.380  0.00  0.00    -0.216 NA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7