REMARK  Name = BDB062228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.193   0.300  -0.446  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        1.805  -0.270  -1.613  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.876  -0.272  -1.995  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.894  -0.755  -2.258  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.954  -1.314  -3.334  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.995  -0.415  -1.316  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        5.265  -0.759  -1.562  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        3.476   0.254  -0.227  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        6.431  -0.493  -0.705  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        7.467  -1.440  -0.675  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        8.576  -1.174   0.102  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        9.658  -1.986   0.246  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       10.465  -1.203   1.150  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        9.860   0.053   1.520  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        8.692  -0.013   0.827  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        7.707   0.948   0.813  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        6.570   0.704   0.034  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        1.315   0.912   0.393  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        1.762   1.376   1.176  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -2.781   0.110   1.122  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1       -2.207   1.337   1.463  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -0.849   1.573   1.226  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -0.033   0.594   0.641  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -0.618  -0.628   0.295  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -1.976  -0.870   0.533  0.00  0.00    +0.005 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -4.248  -0.144   1.361  0.00  0.00    +0.035 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.097   0.270   0.157  0.00  0.00    +0.005 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.583   0.008   0.410  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.432   0.425  -0.794  0.00  0.00    -0.000 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -9.599   0.863   0.480  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -8.916   0.088  -0.636  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 8