REMARK  Name = BDB048140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.902  -1.960   2.241  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.968  -1.161   1.948  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1       -1.944   0.132   1.446  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1       -3.051   0.860   1.157  0.00  0.00    -0.256 NA
ATOM      5  C   LIG    1       -4.255   0.281   1.364  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -4.375  -1.002   1.891  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.218  -1.724   2.183  0.00  0.00    +0.049 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -5.480   1.094   1.015  0.00  0.00    +0.102 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.918   0.998  -0.461  0.00  0.00    +0.171 C 
ATOM     10  O   LIG    1       -4.927   1.633  -1.299  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -5.521   2.723  -2.005  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -6.731   3.124  -1.202  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -7.218   1.787  -0.701  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -6.147  -0.458  -0.890  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -5.666  -1.042  -1.848  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.040  -1.108  -0.106  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -7.095  -1.993  -0.529  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.402  -1.514   1.852  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.671  -1.817   0.378  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.010  -0.800  -0.264  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1        3.425   0.087  -1.131  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        2.086  -0.162  -1.021  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        1.176   0.648  -1.850  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1        1.919  -1.177  -0.103  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        3.148  -1.570   0.375  0.00  0.00    -0.214 NA
BRANCH  20  29
ATOM     26  C   LIG    1        8.284  -0.740   0.060  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        7.519  -1.631   0.814  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.125  -1.646   0.703  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        5.466  -0.766  -0.166  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        6.243   0.127  -0.920  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        7.640   0.141  -0.808  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1       10.456   0.057  -0.484  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        9.633  -0.829   0.264  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10