REMARK  Name = BDB011896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.490  -1.494   2.159  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.823  -1.119   1.965  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -1.503  -0.759   0.703  0.00  0.00    +0.193 C 
ATOM      4  C   LIG    1       -2.950  -1.031   1.040  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -3.088  -1.208   2.425  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -4.326  -1.454   2.992  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.436  -1.545   2.143  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -5.300  -1.372   0.753  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.049  -1.108   0.192  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.751  -1.101   3.095  0.00  0.00    +0.144 C 
ATOM     11  O   LIG    1        0.942  -1.617   3.300  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -1.322   0.752   0.368  0.00  0.00    +0.242 C 
ATOM     13  N   LIG    1       -1.516   1.022  -0.981  0.00  0.00    -0.282 N 
ATOM     14  H   LIG    1       -1.467   0.224  -1.615  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -1.082   1.595   1.232  0.00  0.00    -0.273 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -1.618   2.278  -1.621  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1       -1.727   2.304  -3.025  0.00  0.00    +0.062 A 
ATOM     18 CL   LIG    1       -1.724   0.840  -3.950  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1       -1.844   3.514  -3.714  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.864   4.714  -3.008  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.763   4.703  -1.620  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.641   3.491  -0.929  0.00  0.00    +0.025 A 
ENDBRANCH  13  16
ENDBRANCH   3  12
BRANCH   1  23
ATOM     23  C   LIG    1        1.370  -1.730   0.904  0.00  0.00    +0.162 C 
BRANCH  23  25
ATOM     24  C   LIG    1        1.610   0.013  -0.877  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1        1.844  -0.448   0.395  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1        2.528   0.082   0.936  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1        0.847  -0.555  -1.655  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1        2.305   1.365  -1.169  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1        2.296   1.710  -2.658  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1        4.628   0.537  -1.168  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        3.651   1.416  -0.539  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1        3.991   2.379  -0.608  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1        2.551  -2.722   1.099  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        3.655  -2.252   2.049  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        2.048  -4.110   1.517  0.00  0.00    +0.009 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 7