REMARK  Name = BDB046347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.411   0.048   2.259  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.456  -0.459   1.137  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -2.627  -0.447   0.377  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.822   0.065   1.049  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -4.973   0.333   0.107  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -4.921   0.043  -1.207  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -5.972   0.320  -2.047  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -5.910   0.102  -3.034  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -7.155   0.902  -1.661  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1       -7.280   1.236  -0.223  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -8.466   1.823   0.241  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -8.601   2.138   1.590  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.556   1.866   2.469  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.372   1.280   2.003  0.00  0.00    +0.009 A 
ATOM     15  O   LIG    1       -8.053   1.126  -2.465  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.720  -0.610  -1.831  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -6.211   0.955   0.646  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1       -2.846  -1.301  -0.788  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1       -0.233  -1.104   0.507  0.00  0.00    +0.111 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.993  -0.997   1.421  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.177  -1.702   0.886  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        2.628  -1.126  -0.393  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1        4.070  -1.511  -0.717  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1        5.065  -0.936   0.316  0.00  0.00    +0.059 C 
ATOM     25  C   LIG    1        4.349  -0.720   1.668  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        3.256  -1.763   1.889  0.00  0.00    +0.086 C 
BRANCH  24  27
ATOM     27  N   LIG    1        5.724   0.309  -0.142  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1        6.646   0.878   0.851  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        7.424   1.907   0.049  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        7.462   1.349  -1.365  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        6.556   0.124  -1.339  0.00  0.00    +0.085 C 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 4