REMARK  Name = BDB008391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.316   1.921   1.844  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.096   2.035   1.775  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        1.764   3.001   2.526  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        1.031   3.854   3.351  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1        1.846   5.051   4.284  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -0.357   3.753   3.433  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.030   2.790   2.680  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.510  -0.124  -0.060  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -2.358   0.461  -0.898  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -1.604   1.546  -0.136  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -0.953   0.939   1.040  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -1.758  -0.038   1.800  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -3.242   0.055   1.453  0.00  0.00    +0.024 C 
BRANCH   8  14
ATOM     14  C   LIG    1       -3.800  -1.611  -0.386  0.00  0.00    +0.087 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.247  -2.072  -2.742  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -4.281  -1.977  -1.722  0.00  0.00    -0.308 NA
ATOM     17  C   LIG    1       -5.423  -1.196  -2.178  0.00  0.00    +0.104 C 
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  N   LIG    1        1.726   1.111   0.914  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.050   0.475   0.503  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        3.069   0.950   0.649  0.00  0.00    +0.253 C 
ATOM     21  O   LIG    1        3.964   1.610   1.163  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.342  -0.098  -0.329  0.00  0.00    +0.101 A 
ATOM     23  C   LIG    1        4.550  -0.747  -0.533  0.00  0.00    +0.168 A 
ATOM     24  N   LIG    1        4.339  -1.655  -1.582  0.00  0.00    -0.217 N 
ATOM     25  C   LIG    1        5.368  -2.469  -2.041  0.00  0.00    +0.161 A 
ATOM     26  C   LIG    1        6.583  -2.399  -1.486  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1        6.712  -1.411  -0.369  0.00  0.00    +0.160 A 
ATOM     28  N   LIG    1        3.063  -1.613  -2.035  0.00  0.00    -0.173 NA
ATOM     29  N   LIG    1        5.770  -0.640   0.083  0.00  0.00    -0.232 NA
ATOM     30  C   LIG    1        2.482  -0.676  -1.290  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        7.637  -3.177  -1.899  0.00  0.00    -0.504 OA
ATOM     32  H   LIG    1        8.418  -2.953  -1.364  0.00  0.00    +0.292 HD
ENDBRANCH  26  31
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 6