REMARK  Name = BDB002143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.899  -2.245  -2.228  0.00  0.00    +0.175 C 
ATOM      2  O   LIG    1       -0.968  -3.240  -2.953  0.00  0.00    -0.291 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.847  -1.107  -1.914  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -4.365  -1.050  -1.791  0.00  0.00    +0.017 A 
ATOM      5  N   LIG    1       -3.668  -0.010  -1.213  0.00  0.00    -0.345 N 
ATOM      6  C   LIG    1       -2.301  -0.236  -1.336  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.284   0.769  -0.895  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -2.132  -1.495  -1.916  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -3.439  -1.977  -2.212  0.00  0.00    +0.034 A 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.282   1.156  -0.590  0.00  0.00    +0.153 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.182   1.156   0.934  0.00  0.00    +0.138 C 
ATOM     12  O   LIG    1       -4.662   2.414   1.456  0.00  0.00    -0.375 OA
ATOM     13  C   LIG    1       -5.372   2.158   2.679  0.00  0.00    +0.160 C 
ATOM     14  C   LIG    1       -5.194   0.688   2.998  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -5.013   0.087   1.626  0.00  0.00    +0.035 C 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.422  -1.761  -1.657  0.00  0.00    +0.156 C 
BRANCH  16  17
ATOM     17  S   LIG    1        1.722  -3.031  -1.728  0.00  0.00    -0.089 S 
BRANCH  17  18
ATOM     18  C   LIG    1        3.059  -2.134  -1.048  0.00  0.00    +0.160 A 
ATOM     19  S   LIG    1        4.622  -2.796  -0.862  0.00  0.00    -0.024 S 
ATOM     20  C   LIG    1        5.120  -1.274  -0.201  0.00  0.00    +0.187 A 
ATOM     21  N   LIG    1        4.133  -0.402  -0.143  0.00  0.00    -0.125 NA
ATOM     22  N   LIG    1        2.943  -0.894  -0.636  0.00  0.00    -0.133 NA
BRANCH  20  23
ATOM     23  N   LIG    1        6.411  -1.124   0.184  0.00  0.00    -0.292 N 
ATOM     24  H   LIG    1        7.020  -1.919   0.039  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        7.069   0.020   0.674  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        8.422  -0.098   1.039  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        9.140   0.991   1.545  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.514   2.222   1.701  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.174   2.360   1.354  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.459   1.268   0.849  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8