REMARK  Name = BDB015490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.047  -0.100   1.312  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.275  -0.877   2.077  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.978  -1.048   1.641  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.484  -0.539   0.507  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.649   0.200  -0.249  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.659   0.435   0.109  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.199   0.733  -1.516  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.950  -0.079  -2.282  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.494   0.337  -3.487  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.280  -0.620  -4.252  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.305   1.622  -3.992  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.758   2.019  -5.063  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.489   2.545  -3.136  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.302   3.940  -3.640  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.983   2.096  -1.976  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.366  -0.043   1.814  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.422  -0.530   2.710  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.148   1.436   1.902  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.727   1.507   3.226  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.279   2.487   1.418  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.473   1.234   0.717  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.251  -0.075   0.799  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.010  -1.437   1.982  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.117  -0.206   2.052  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.766  -1.874   2.435  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.121  -1.817   2.208  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1       -3.741  -2.578   1.209  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1       -5.133  -2.509   1.061  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -5.892  -1.700   1.911  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.269  -0.961   2.916  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.884  -1.023   3.071  0.00  0.00    +0.048 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -2.984  -3.418   0.329  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -2.385  -4.090  -0.405  0.00  0.00    -0.191 NA
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9