REMARK  Name = BDB048136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.570  -1.136  -0.559  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -1.327  -1.881   0.274  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -2.396  -1.243   0.810  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -2.713   0.086   0.529  0.00  0.00    +0.063 A 
ATOM      5  N   LIG    1       -1.951   0.823  -0.317  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1       -0.878   0.184  -0.849  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.533  -1.682  -1.177  0.00  0.00    -0.475 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.924  -2.964  -0.675  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.686  -2.870   0.650  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.701  -3.998  -0.380  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.214  -2.688   0.082  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.001  -2.187   0.507  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.145  -0.855   0.827  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.414  -0.592   0.581  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.126  -1.672   0.124  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.141   0.666   0.728  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.505   0.778   0.420  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.174   1.997   0.571  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.487   3.118   1.031  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.132   3.024   1.341  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.465   1.806   1.190  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.901   0.757   1.163  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.079   1.021   0.206  0.00  0.00    +0.171 C 
ATOM     24  O   LIG    1       -6.139   1.647   0.979  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -6.504   2.884   0.357  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -5.998   2.827  -1.063  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -4.737   2.007  -0.916  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.636  -0.320  -0.302  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -5.489  -1.413   0.228  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.398  -0.227  -1.411  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -6.712  -1.143  -1.558  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9