REMARK  Name = BDB051951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.062   1.690  -0.410  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.441   0.876   0.629  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1       -0.023  -0.047   0.697  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.581   2.761  -0.702  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1        1.866   1.706  -5.363  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1        2.655   0.799  -4.466  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1        2.227   0.749  -3.119  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1        2.807  -0.001  -2.088  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        2.091   0.250  -0.907  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.541  -0.354   0.292  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.642  -1.214   0.282  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.316  -1.474  -0.901  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.014   1.132  -1.236  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1        3.917  -0.870  -2.095  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        1.157   1.436  -2.577  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1        3.611   0.133  -4.846  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1       -1.401   1.106   1.634  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -1.593   0.037   2.542  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -2.515   0.171   3.585  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.225   1.363   3.740  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -3.029   2.424   2.845  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1       -2.114   2.294   1.790  0.00  0.00    +0.040 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -0.920  -1.200   2.323  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -0.768  -1.651   3.225  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.725  -2.096   1.482  0.00  0.00    +0.105 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.881  -3.287   1.139  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        0.083  -3.235  -0.020  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -1.154  -4.085  -0.111  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  18  23
BRANCH  21  29
ATOM     29  C   LIG    1       -3.773   3.701   2.978  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -3.684   4.668   2.245  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.609   3.708   4.032  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -5.023   4.596   3.989  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   2  17
TORSDOF 7