REMARK  Name = BDB022107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.609   0.163   1.407  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -0.741   0.070   1.093  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1       -1.265   1.355   1.226  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1       -0.294   2.240   1.622  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.810   1.510   1.738  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1        5.000  -0.860  -1.147  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1        5.067  -1.497   0.182  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        3.669  -1.896   0.689  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        2.725  -0.776   0.667  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        1.568  -0.926   1.437  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        1.367  -1.906   2.152  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        2.713  -0.029  -0.599  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.132   0.327  -1.085  0.00  0.00    +0.103 C 
BRANCH   6  14
ATOM     14  C   LIG    1        6.330  -0.584  -1.719  0.00  0.00    +0.112 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.284   0.358  -0.958  0.00  0.00    +0.174 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.727   0.543   0.899  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        7.853  -0.308   0.171  0.00  0.00    -0.382 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1       -2.614   1.826   0.995  0.00  0.00    +0.252 A 
ATOM     19  N   LIG    1       -3.542   0.951   0.564  0.00  0.00    -0.211 NA
ATOM     20  C   LIG    1       -4.780   1.431   0.332  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -5.138   2.742   0.546  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.132   3.560   0.993  0.00  0.00    +0.117 A 
ATOM     23  N   LIG    1       -2.877   3.135   1.214  0.00  0.00    -0.219 NA
BRANCH  20  24
ATOM     24  C   LIG    1       -5.742   0.443  -0.141  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.474   0.587  -1.310  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -6.465   1.693  -2.317  0.00  0.00    +0.052 C 
ATOM     27  S   LIG    1       -7.516  -0.752  -1.571  0.00  0.00    -0.098 S 
ATOM     28  C   LIG    1       -6.954  -1.562  -0.178  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1       -7.494  -2.905   0.172  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.004  -0.819   0.487  0.00  0.00    +0.021 A 
ENDBRANCH  20  24
ENDBRANCH   3  18
BRANCH   2  31
ATOM     31  C   LIG    1       -1.491  -1.145   0.683  0.00  0.00    +0.215 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -1.107  -1.440  -0.660  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -2.042  -0.969  -1.621  0.00  0.00    +0.194 C 
ENDBRANCH  31  32
ENDBRANCH   2  31
TORSDOF 8