REMARK  Name = BDB007489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.563  -0.016  -1.846  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.002  -1.069  -1.400  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.251  -2.223  -1.320  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.593  -3.012  -0.787  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.385  -1.150  -0.864  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.939  -0.010  -0.267  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        5.240  -0.036   0.259  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        5.979  -1.225   0.165  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.436  -2.360  -0.446  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.141  -2.324  -0.963  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.805   1.158   0.896  0.00  0.00    +0.092 A 
ATOM     12  N   LIG    1        5.022   2.168   1.313  0.00  0.00    -0.174 NA
ATOM     13  N   LIG    1        5.869   3.069   1.830  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        5.482   3.929   2.205  0.00  0.00    +0.188 HD
ATOM     15  C   LIG    1        7.173   2.686   1.773  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        7.170   1.451   1.172  0.00  0.00    +0.049 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.135  -2.253  -1.766  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.085  -1.537  -0.788  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.962  -2.171   0.494  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.086  -1.907   0.830  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.542  -1.636  -1.305  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.591  -0.848  -0.633  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.410   0.602  -0.804  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.473   1.423  -0.101  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.226   0.875   0.954  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.181   1.662   1.610  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.370   2.993   1.241  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.612   3.546   0.211  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.048  -0.576   1.330  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -4.666   2.766  -0.455  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.739  -1.170   0.791  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7