REMARK  Name = BDB050343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.464  -0.352  -0.464  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -2.629  -0.520   0.623  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -2.945  -0.644   1.580  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -1.304  -0.497   0.258  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.264  -0.307  -1.115  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.011  -0.244  -1.754  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        1.166  -0.376  -1.001  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.088  -0.562   0.379  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -0.149  -0.627   1.035  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.612  -0.218  -1.555  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -4.228  -0.737   2.664  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -5.344  -0.651   2.189  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -5.711  -0.463   0.766  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -7.120  -0.431   0.740  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -7.818  -0.268  -0.443  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -7.083  -0.135  -1.615  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.675  -0.166  -1.587  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -7.688  -0.593   2.109  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -4.940  -0.332  -0.392  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -6.510  -0.719   2.917  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -6.495  -0.848   3.920  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        2.313  -0.290  -1.743  0.00  0.00    -0.491 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.569  -0.511  -1.097  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.124   0.802  -0.517  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.395   0.646   0.213  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        6.484   0.164  -0.668  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        7.871   0.556  -0.138  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        8.067   1.976  -0.103  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        6.851   2.706   0.111  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1        5.793   1.904   0.886  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 5