REMARK  Name = BDB053961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.689   0.111   0.292  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.550  -0.429  -0.099  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.755   0.223   0.247  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.665   1.407   0.981  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.946   1.856   1.199  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.178   2.698   1.707  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.865   1.012   0.630  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.266   1.079   0.601  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.205   2.083   1.214  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.498   1.793   0.439  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.463   0.305   0.058  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.992   0.071  -0.051  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -5.315  -0.964  -0.636  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -5.797  -2.142  -1.353  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.960  -2.425  -1.560  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.691  -2.837  -1.725  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.718  -3.705  -2.235  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -3.536  -2.241  -1.317  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -2.411  -2.652  -1.506  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.924  -1.022  -0.609  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.448   1.967   1.383  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.148  -0.036   0.023  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.728   1.300   1.026  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        1.938  -0.617  -0.099  0.00  0.00    +0.164 C 
ATOM     25  O   LIG    1        1.861  -1.633  -0.787  0.00  0.00    -0.292 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.274  -0.071   0.365  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.428  -0.969  -0.071  0.00  0.00    +0.103 C 
BRANCH  27  30
ATOM     28  N   LIG    1        6.821  -1.222   0.038  0.00  0.00    -0.314 N 
ATOM     29  H   LIG    1        6.669  -2.009  -0.581  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1        5.761  -0.413   0.377  0.00  0.00    +0.213 C 
ATOM     31  O   LIG    1        5.886   0.651   0.974  0.00  0.00    -0.276 OA
BRANCH  28  32
ATOM     32  C   LIG    1        8.195  -0.839   0.310  0.00  0.00    +0.119 C 
BRANCH  32  33
ATOM     33  C   LIG    1        8.735   0.184  -0.701  0.00  0.00    +0.096 C 
BRANCH  33  34
ATOM     34  N   LIG    1        8.613  -0.298  -2.083  0.00  0.00    -0.329 NA
ATOM     35  H   LIG    1        7.621  -0.407  -2.294  0.00  0.00    +0.118 HD
ATOM     36  H   LIG    1        8.950   0.430  -2.713  0.00  0.00    +0.118 HD
ENDBRANCH  33  34
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7