REMARK  Name = BDB015614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.115   1.842   0.396  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.738   0.810   0.455  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.207  -0.430   0.469  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        1.159  -0.663   0.472  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.759  -2.029   0.566  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1        1.919   0.488   0.379  0.00  0.00    +0.148 A 
ATOM      7  N   LIG    1        1.446   1.737   0.365  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.209  -1.520   0.488  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -2.104  -1.545   1.491  0.00  0.00    +0.098 A 
ATOM     10  N   LIG    1       -3.070  -2.534   1.591  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1       -3.983  -2.493   2.723  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -3.184  -3.567   0.661  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.007  -4.477   0.735  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.220  -3.522  -0.487  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.356  -4.587  -1.526  0.00  0.00    +0.049 C 
ATOM     16  C   LIG    1       -1.303  -2.541  -0.540  0.00  0.00    +0.020 A 
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  N   LIG    1        3.336   0.488   0.282  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        3.642   1.434   0.527  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.926   0.184  -1.281  0.00  0.00    +0.047 S 
ATOM     20  O   LIG    1        3.007  -0.685  -1.984  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1        4.325   1.464  -1.823  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.411  -0.772  -0.907  0.00  0.00    +0.145 C 
ATOM     23  C   LIG    1        6.098  -1.189  -2.205  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        6.376   0.003  -0.016  0.00  0.00    +0.033 C 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   1  25
ATOM     25  O   LIG    1       -0.366   3.147   0.397  0.00  0.00    -0.423 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.095   3.413   2.656  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.591   3.458   1.239  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.714   3.296   0.152  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1       -2.175   3.366  -1.176  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -1.241   3.228  -2.344  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -3.549   3.522  -1.401  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -4.434   3.644  -0.329  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -3.958   3.616   0.982  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6