REMARK  Name = BDB048728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.767   0.005   0.633  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        2.978  -0.711  -0.280  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.626  -0.398  -0.465  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.041   0.640   0.257  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.821   1.356   1.167  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.170   1.046   1.357  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        8.651   0.124  -0.816  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        7.462  -0.518  -0.142  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        6.092   0.072  -0.373  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        5.239  -0.311   0.830  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1        5.408  -1.713   1.116  0.00  0.00    -0.290 N 
ATOM     12  H   LIG    1        4.749  -2.188   1.720  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1        6.651  -2.272   1.144  0.00  0.00    +0.324 C 
ATOM     14  O   LIG    1        6.797  -3.362   1.685  0.00  0.00    -0.251 OA
ATOM     15  N   LIG    1        7.677  -1.586   0.560  0.00  0.00    -0.172 NA
BRANCH   9  16
ATOM     16  C   LIG    1        6.100   1.568  -0.498  0.00  0.00    +0.315 C 
ATOM     17  O   LIG    1        6.473   2.363   0.349  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.648   1.998  -1.691  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1        5.672   2.978  -1.638  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  O   LIG    1       -0.258   1.053   0.182  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.145   0.406  -0.732  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.769  -0.848  -0.118  0.00  0.00    +0.082 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.592  -0.538   1.133  0.00  0.00    +0.232 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.664   0.360   0.852  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.840  -0.113   0.324  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1       -5.803   0.865  -0.011  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -7.023   0.419  -0.560  0.00  0.00    +0.075 A 
ATOM     28  C   LIG    1       -7.986   1.360  -0.900  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -7.781   2.729  -0.714  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.584   3.178  -0.175  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -7.292  -0.880  -0.769  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1       -6.358  -1.797  -0.436  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.700  -3.237  -0.680  0.00  0.00    +0.066 C 
ATOM     34  C   LIG    1       -5.601   2.253   0.175  0.00  0.00    +0.013 A 
ATOM     35  C   LIG    1       -5.127  -1.457   0.109  0.00  0.00    +0.069 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9