REMARK  Name = BDB014442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.074  -2.016   1.699  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.747  -1.163   0.670  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.527  -0.714   0.200  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.272  -2.798   2.202  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.509  -1.872   2.216  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.429  -1.316   1.283  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.968  -1.568  -0.483  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.958  -2.145   0.319  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1        3.547  -3.460   0.079  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.137  -4.200  -0.948  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.133  -3.633  -1.737  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.548  -2.320  -1.506  0.00  0.00    +0.027 A 
BRANCH   7  15
ATOM     13  C   LIG    1        6.401   1.917  -0.198  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.274   0.551  -0.827  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        5.342  -0.237  -0.185  0.00  0.00    -0.283 N 
ATOM     16  H   LIG    1        4.848   0.159   0.607  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.936   0.254  -1.815  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.513  -1.243  -0.066  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.748  -0.866   0.778  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.182  -1.989   1.561  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.379  -2.389   1.961  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.943  -0.443  -0.108  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.691   0.728  -0.972  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -2.657   1.998  -0.221  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.009   2.543   0.190  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.181   2.158  -0.485  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.414   2.706  -0.108  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.482   3.648   0.917  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.322   4.046   1.576  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.122   1.109  -1.567  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.090   3.500   1.213  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.690   0.838  -2.051  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9