REMARK  Name = BDB012588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.048   0.694  -0.239  0.00  0.00    -0.339 N 
ATOM      2  C   LIG    1        1.754   0.408  -0.519  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.515   0.147   0.251  0.00  0.00    +0.159 C 
ATOM      4  N   LIG    1       -0.424  -0.161  -0.886  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.217  -0.014  -2.155  0.00  0.00    +0.254 C 
ATOM      6  O   LIG    1       -0.231  -0.160  -3.281  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.585   0.328  -1.867  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.813   0.603  -2.489  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        3.086   0.635  -3.946  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        3.708   0.834  -1.447  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.742  -0.588  -0.706  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.621  -0.725  -1.720  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.924  -1.141  -1.470  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.406  -1.439  -0.210  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.668  -1.796  -0.294  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.036  -1.738  -1.618  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.510  -1.324   0.899  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.936  -1.644   2.309  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.990  -1.347  -2.319  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.936  -1.151  -3.784  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.242  -0.921   0.640  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   3  22
ATOM     22  C   LIG    1        0.091   1.349   1.083  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.360   2.541   0.489  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.732   3.635   1.275  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.652   3.550   2.662  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.106   4.897   3.630  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.202   2.381   3.271  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.170   1.287   2.485  0.00  0.00    +0.007 A 
ENDBRANCH   3  22
BRANCH   1  29
ATOM     29  C   LIG    1        3.658   0.836   1.069  0.00  0.00    +0.217 C 
BRANCH  29  33
ATOM     30  C   LIG    1        4.930  -2.597   2.060  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        4.813  -1.264   1.522  0.00  0.00    -0.317 N 
ATOM     32  H   LIG    1        5.343  -1.052   0.685  0.00  0.00    +0.148 HD
ATOM     33  C   LIG    1        3.704  -0.489   1.801  0.00  0.00    +0.233 C 
ATOM     34  O   LIG    1        2.811  -0.842   2.570  0.00  0.00    -0.274 OA
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 4