REMARK  Name = BDB014450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.169  -2.378   2.320  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.191  -2.007   1.746  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.178  -1.384   0.519  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        2.084  -1.369   0.044  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.018  -1.226  -0.295  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.118  -0.368   0.368  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.936  -1.198   1.201  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.326  -1.673   1.806  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.001   0.292  -0.722  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.103   1.152  -0.237  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.966   1.547  -1.367  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.035   2.559  -1.012  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.938   3.335   0.155  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.927   4.283   0.448  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.995   4.479  -0.427  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.085   3.727  -1.595  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.806   3.093   1.119  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.110   2.773  -1.888  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.630   2.344   0.477  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.587  -2.241   2.325  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.459  -1.143   2.049  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.671  -1.561   1.547  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        4.789  -2.073   0.246  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        6.082  -2.447  -0.182  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.227  -2.980  -1.470  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.117  -3.126  -2.291  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.892  -2.726  -1.798  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.193  -2.282   0.664  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        7.042  -1.741   1.938  0.00  0.00    +0.004 A 
ATOM     30  N   LIG    1        3.708  -2.204  -0.564  0.00  0.00    -0.251 NA
ATOM     31  C   LIG    1        5.778  -1.372   2.379  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8