REMARK  Name = BDB012236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.629   0.203  -2.678  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.799   1.032  -2.296  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.534   1.136  -2.861  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        0.458   2.125  -2.441  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        1.727   2.092  -3.287  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.301   0.672  -3.424  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.216  -0.404  -3.620  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -0.145   0.209  -3.923  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.198   0.341  -2.276  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        2.636   0.205  -1.031  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        3.739  -0.063  -0.256  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1        4.858  -0.076  -0.961  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        4.507   0.184  -2.271  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        3.529  -0.268   1.173  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        4.644  -0.412   2.015  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.483  -0.606   3.392  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.201  -0.662   3.941  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.081  -0.526   3.119  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.243  -0.328   1.743  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1       -2.121   1.990  -1.156  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.463   1.676  -0.495  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.339   0.473   0.413  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -3.357  -0.751  -0.200  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.385  -0.808  -1.218  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -3.198  -1.936   0.475  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -3.150  -3.020  -0.095  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -3.062  -1.818   1.939  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -3.074  -0.532   2.485  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -2.937  -0.394   3.870  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -2.784  -1.520   4.690  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -2.773  -2.799   4.130  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -2.911  -2.953   2.748  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -3.199   0.627   1.692  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5