REMARK  Name = BDB022144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.709   0.139   1.017  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.141  -0.931   0.775  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.173  -2.381   0.677  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        1.425  -0.396   0.657  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        1.413   0.956   0.875  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1        0.141   1.249   1.133  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.664  -1.080   0.354  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        3.794  -0.343   0.301  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        4.952  -0.975   0.017  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        5.003  -2.332  -0.218  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.807  -3.004  -0.147  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        2.633  -2.412   0.132  0.00  0.00    -0.219 NA
BRANCH   9  13
ATOM     13  C   LIG    1        6.122  -0.078  -0.014  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        7.703  -0.646  -0.384  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        8.394   0.906  -0.213  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        7.454   1.853   0.119  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        6.152   1.288   0.232  0.00  0.00    +0.017 A 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  N   LIG    1       -3.023   0.009   0.200  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -2.131   0.088   1.278  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1       -2.524   0.086   2.444  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.750   0.342  -1.218  0.00  0.00    +0.070 C 
ATOM     22  C   LIG    1       -1.893  -0.694  -1.942  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1       -2.224   1.762  -1.429  0.00  0.00    +0.028 C 
ENDBRANCH  18  21
BRANCH  18  24
ATOM     24  C   LIG    1       -4.440  -0.160   0.563  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.157   1.169   0.846  0.00  0.00    +0.178 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.623   1.500  -1.000  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -5.424   1.905  -0.354  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 7