REMARK  Name = BDB049902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125  -0.057  -1.587  0.00  0.00    +0.217 C 
ATOM      2  N   LIG    1       -1.098   0.525  -0.816  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -0.890   0.863   0.118  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.381  -0.625  -2.644  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.304   0.076  -1.056  0.00  0.00    +0.084 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.423  -0.572   0.339  0.00  0.00    +0.013 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.707  -1.389   0.545  0.00  0.00    +0.001 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.991  -0.561   0.480  0.00  0.00    -0.000 C 
BRANCH   8  10
ATOM      9  C   LIG    1        5.374  -1.929   2.136  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        5.257  -1.389   0.719  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
BRANCH   5  11
ATOM     11  C   LIG    1        1.695   1.563  -1.032  0.00  0.00    +0.110 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.055   2.080  -2.409  0.00  0.00    +0.236 C 
ATOM     13  N   LIG    1        1.869   3.437  -2.555  0.00  0.00    -0.197 N 
ATOM     14  H   LIG    1        1.881   4.068  -1.761  0.00  0.00    +0.182 HD
ATOM     15  O   LIG    1        2.516   1.389  -3.313  0.00  0.00    -0.274 OA
BRANCH  13  16
ATOM     16  O   LIG    1        2.347   3.973  -3.776  0.00  0.00    -0.295 OA
ATOM     17  H   LIG    1        2.648   3.168  -4.256  0.00  0.00    +0.241 HD
ENDBRANCH  13  16
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -2.508   0.549  -1.217  0.00  0.00    +0.186 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.195   1.703  -0.482  0.00  0.00    +0.328 C 
ATOM     20  O   LIG    1       -2.667   2.370   0.403  0.00  0.00    -0.249 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.457   1.899  -0.958  0.00  0.00    -0.467 OA
ATOM     22  C   LIG    1       -5.154   2.978  -0.334  0.00  0.00    +0.280 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
BRANCH  18  23
ATOM     23  C   LIG    1       -3.232  -0.791  -1.002  0.00  0.00    +0.069 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.178  -1.323   0.413  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1       -4.087  -0.883   1.385  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.014  -1.368   2.692  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.039  -2.300   3.039  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.137  -2.753   2.079  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.208  -2.269   0.772  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   2  18
TORSDOF 13