REMARK  Name = BDB004622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.005   1.290  -1.273  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.697   1.278  -0.810  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.858   0.146  -0.988  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.351  -1.011  -1.623  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -0.566  -2.101  -1.762  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.678  -2.042  -1.274  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        1.238  -0.992  -0.682  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -2.679  -0.977  -2.093  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.480   0.102  -0.540  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -3.487   0.163  -1.921  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.330  -2.127  -2.797  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.486  -2.064  -3.201  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.607  -3.267  -2.989  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.045  -4.053  -3.445  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -1.655  -3.345  -2.642  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1       -3.477   3.466  -0.432  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.895   2.318  -1.160  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1        1.032   1.240   0.075  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        0.969   2.020  -0.572  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.368   1.180   0.693  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1        3.480   1.066  -0.357  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.414   0.231   1.882  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1        3.293  -0.861   1.953  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.311  -1.694   3.075  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.451  -1.451   4.144  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        1.569  -0.376   4.091  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        1.551   0.457   2.970  0.00  0.00    +0.005 A 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 5