REMARK  Name = BDB054313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.802  -0.036  -2.026  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -0.269   0.775  -2.369  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1       -0.296   1.634  -3.232  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1       -1.393   0.398  -1.467  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -2.668   0.911  -1.477  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -3.423   0.409  -0.560  0.00  0.00    +0.159 A 
ATOM      7  N   LIG    1       -3.003  -0.555   0.344  0.00  0.00    -0.200 N 
ATOM      8  C   LIG    1       -1.754  -1.135   0.365  0.00  0.00    +0.278 A 
ATOM      9  O   LIG    1       -1.378  -2.041   1.097  0.00  0.00    -0.265 OA
ATOM     10  N   LIG    1       -4.042  -0.869   1.212  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -4.224  -1.870   1.291  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1       -5.141  -0.143   0.756  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1       -4.840   0.679  -0.265  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1       -0.892  -0.542  -0.657  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1        0.520  -0.884  -0.892  0.00  0.00    +0.151 C 
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1       -6.469  -0.239   1.257  0.00  0.00    +0.152 A 
ATOM     17  O   LIG    1       -7.555   0.382   0.674  0.00  0.00    -0.461 OA
ATOM     18  C   LIG    1       -8.662   0.084   1.397  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1       -8.338  -0.726   2.454  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -6.941  -0.932   2.368  0.00  0.00    +0.051 A 
ENDBRANCH  12  16
BRANCH   1  21
ATOM     21  C   LIG    1        2.127   0.090  -2.595  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  C   LIG    1        4.829   1.012  -0.059  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.993   0.270  -0.897  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.043   0.905  -1.715  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        2.933   2.300  -1.680  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.766   3.048  -0.852  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.709   2.407  -0.047  0.00  0.00    +0.023 A 
BRANCH  22  30
ATOM     28  C   LIG    1        7.189  -1.127   1.965  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        6.070  -0.902   0.978  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1        5.800   0.442   0.790  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        6.347   1.096   1.335  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        5.490  -1.851   0.462  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4