REMARK  Name = BDB015785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.430  -1.699  -1.208  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.569  -0.866  -0.603  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.629  -1.377  -0.266  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.957  -2.695  -0.513  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.009  -3.468  -1.114  0.00  0.00    +0.124 A 
ATOM      6  N   LIG    1        1.204  -2.994  -1.470  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.592  -0.443   0.373  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.575   0.851  -0.000  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.437   1.792   0.539  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.346   3.162   0.059  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.385   1.471   1.508  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.176   2.275   1.997  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.400   0.041   1.956  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.384  -0.318   3.023  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.542  -0.833   1.404  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -0.248  -4.803  -1.423  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        0.599  -5.193  -1.832  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -0.554  -5.336  -0.618  0.00  0.00    +0.144 HD
ENDBRANCH   5  16
BRANCH   1  19
ATOM     19  O   LIG    1        2.686  -1.237  -1.591  0.00  0.00    -0.422 OA
BRANCH  19  22
ATOM     20  C   LIG    1        4.111  -0.443   0.743  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        3.633   0.537  -0.291  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1        2.909   0.111  -1.419  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1        2.482   1.036  -2.381  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1        1.649   0.543  -3.811  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        2.735   2.396  -2.199  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        3.423   2.832  -1.067  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.869   1.909  -0.119  0.00  0.00    +0.007 A 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4