REMARK  Name = BDB002324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400   0.900   0.001  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.068   0.022   1.014  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.351  -0.218   1.305  0.00  0.00    +0.185 C 
ATOM      4  C   LIG    1        1.358  -1.068   2.577  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.006  -0.809   3.198  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.913  -0.644   1.987  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.471   1.643  -0.469  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.993  -1.009   0.159  0.00  0.00    +0.328 C 
ATOM      9  O   LIG    1        1.406  -1.820  -0.552  0.00  0.00    -0.249 OA
BRANCH   8  10
ATOM     10  O   LIG    1        3.324  -0.731   0.092  0.00  0.00    -0.459 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.997  -1.391  -0.983  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.440  -0.958  -0.964  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        6.454  -1.850  -0.586  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        7.787  -1.437  -0.568  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.120  -0.130  -0.922  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.119   0.766  -1.294  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.786   0.355  -1.313  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.843   0.951  -0.567  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.917   1.585   0.338  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -4.228   1.806  -0.459  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -5.128   2.904   0.113  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -4.930   3.083   1.610  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -3.491   3.473   1.944  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -2.455   2.906   0.968  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1       -1.887  -0.875  -2.228  0.00  0.00    +0.230 C 
ATOM     26  N   LIG    1       -2.205  -0.408  -0.964  0.00  0.00    -0.302 N 
ATOM     27  H   LIG    1       -2.125  -1.150  -0.273  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1       -1.668  -0.156  -3.196  0.00  0.00    -0.274 OA
BRANCH  25  30
ATOM     29  C   LIG    1       -3.284  -2.937  -2.540  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -1.875  -2.412  -2.309  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -1.338  -2.964  -1.037  0.00  0.00    -0.320 NA
ATOM     32  H   LIG    1       -0.364  -2.628  -0.948  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -1.245  -3.974  -1.147  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 9