REMARK  Name = BDB053952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.317  -0.738  -1.555  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.443  -0.241  -0.575  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.059  -0.519  -0.652  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.398  -1.293  -1.720  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.758  -1.429  -1.580  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.350  -1.944  -2.216  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.204  -0.767  -0.463  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.498  -0.635   0.064  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.805  -1.207  -0.414  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.810  -0.328   0.345  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.127   0.095   1.655  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.692   0.101   1.242  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.610   0.668   1.861  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.505   1.457   3.086  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.424   1.763   3.818  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.189   1.765   3.227  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -0.821   2.307   3.992  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.422   1.255   2.223  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.780   1.377   2.101  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.330   0.538   1.330  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.450  -1.799  -2.711  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.081  -0.183   0.150  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.813  -1.507  -2.609  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        3.788  -0.469  -1.512  0.00  0.00    +0.164 C 
ATOM     25  O   LIG    1        4.503  -0.897  -2.417  0.00  0.00    -0.292 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.352   0.328  -0.352  0.00  0.00    +0.091 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.864   0.469  -0.453  0.00  0.00    +0.128 C 
BRANCH  27  29
ATOM     28  O   LIG    1        6.888   0.713   1.735  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1        6.394   1.209   0.736  0.00  0.00    +0.305 C 
BRANCH  29  30
ATOM     30  O   LIG    1        6.246   2.542   0.629  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        6.619   2.891   1.466  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5