REMARK  Name = BDB054460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.737  -0.972  -0.780  0.00  0.00    +0.106 A 
ATOM      2  N   LIG    1        2.395  -2.310  -0.824  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1        3.290  -3.392  -1.175  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        1.070  -2.473  -0.512  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        0.553  -1.242  -0.196  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        1.600  -0.303  -0.344  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.479   1.262  -2.142  0.00  0.00    +0.090 C 
ATOM      8  N   LIG    1        4.165   0.698  -1.826  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        4.065  -0.457  -1.060  0.00  0.00    +0.263 C 
ATOM     10  O   LIG    1        5.076  -1.046  -0.670  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        3.130   1.255  -2.685  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        3.806   2.407  -3.417  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1        5.262   1.967  -3.485  0.00  0.00    +0.025 C 
BRANCH   7  14
ATOM     14  C   LIG    1        5.997   2.245  -1.055  0.00  0.00    +0.103 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.869   2.381   1.201  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        5.973   1.681   0.298  0.00  0.00    -0.317 NA
ATOM     17  H   LIG    1        6.193   0.680   0.266  0.00  0.00    +0.122 HD
ENDBRANCH  14  16
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   5  18
ATOM     18  N   LIG    1       -0.696  -0.929   0.198  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -0.937   0.027   0.425  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.837  -1.704   0.425  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1       -2.907  -0.999   0.841  0.00  0.00    -0.195 NA
ATOM     22  C   LIG    1       -3.993  -1.758   1.059  0.00  0.00    +0.164 A 
ATOM     23  C   LIG    1       -4.085  -3.125   0.896  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -5.407  -3.444   1.250  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1       -6.116  -2.369   1.613  0.00  0.00    -0.177 NA
ATOM     26  C   LIG    1       -2.940  -3.769   0.463  0.00  0.00    +0.127 A 
ATOM     27  N   LIG    1       -5.231  -1.348   1.486  0.00  0.00    -0.243 N 
ATOM     28  N   LIG    1       -1.823  -3.042   0.230  0.00  0.00    -0.222 NA
BRANCH  27  29
ATOM     29  C   LIG    1       -5.622   0.008   1.794  0.00  0.00    +0.110 C 
ATOM     30  C   LIG    1       -6.833   0.522   0.988  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -7.460   1.578   1.857  0.00  0.00    -0.006 C 
ATOM     32  C   LIG    1       -6.959   1.399   3.254  0.00  0.00    -0.006 C 
ATOM     33  C   LIG    1       -6.654   2.674   2.508  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -6.009   0.232   3.271  0.00  0.00    +0.030 C 
ENDBRANCH  27  29
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 6