REMARK  Name = BDB012178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.046  -3.435   0.985  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.192  -2.412   0.316  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.805  -1.446   0.206  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -2.066  -1.649   0.912  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -2.560  -0.370   1.581  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.505   0.854   0.651  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1       -1.992   0.524  -0.754  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.697  -0.274  -0.663  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -3.737   1.621   0.621  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -5.009   1.193   0.199  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -5.872   2.289   0.288  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -7.205   2.224  -0.049  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -7.672   0.987  -0.495  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -6.816  -0.129  -0.594  0.00  0.00    +0.022 A 
ATOM     15 CL   LIG    1       -9.327   0.819  -0.938  0.00  0.00    -0.083 Cl
ATOM     16  N   LIG    1       -5.147   3.381   0.745  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -5.481   4.318   0.899  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -5.462  -0.031  -0.244  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -3.814   2.997   0.945  0.00  0.00    +0.328 A 
ATOM     20  O   LIG    1       -2.915   3.730   1.318  0.00  0.00    -0.247 OA
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1        1.487  -2.138  -0.438  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.550  -3.207  -0.168  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.828  -2.975  -0.972  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.557  -1.733  -0.519  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1        5.253  -1.839   0.654  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        5.284  -2.709   1.167  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        5.955  -0.798   1.208  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        6.579  -0.918   2.255  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.907   0.469   0.460  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        5.166   0.488  -0.725  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        5.104   1.678  -1.453  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        5.769   2.823  -1.003  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.504   2.788   0.183  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.576   1.607   0.921  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        4.482  -0.641  -1.208  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5