REMARK  Name = BDB016782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.806  -0.027   0.365  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        1.887  -0.227  -0.663  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1        2.080  -0.658  -1.557  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.704   0.236  -0.205  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -0.691   0.348  -0.651  0.00  0.00    +0.161 C 
ATOM      6  N   LIG    1       -1.300   0.977   0.573  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -0.325   1.166   1.612  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1       -0.459   1.642   2.728  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.914   0.682   1.054  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        2.211   0.536   1.418  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.635   1.388   0.648  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.209   1.842   1.780  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.538   2.234   1.848  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.050   2.697   3.130  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.393   2.182   0.754  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.578   2.505   0.780  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.778   1.699  -0.520  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.670   1.658  -1.720  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.483   1.339  -0.537  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.263  -1.007  -1.031  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.631  -1.958  -0.063  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.136  -3.205  -0.443  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.269  -3.516  -1.793  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.888  -5.051  -2.261  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.900  -2.592  -2.768  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.395  -1.346  -2.390  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.913  -0.995   0.322  0.00  0.00    +0.214 A 
ATOM     28  N   LIG    1        6.396  -0.379   1.402  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        5.070  -0.093   1.361  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        4.223  -0.388   0.292  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.803  -1.029  -0.807  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        6.165  -1.337  -0.793  0.00  0.00    +0.068 A 
BRANCH  27  34
ATOM     33  C   LIG    1        8.951  -0.944   1.465  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        8.253  -1.322   0.282  0.00  0.00    -0.480 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4