REMARK  Name = BDB003402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.886   1.639   0.976  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1       -0.175   1.144   0.016  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1        0.329   2.107  -1.020  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.180   1.694  -2.049  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.649   2.613  -2.998  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.267   3.952  -2.921  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.421   4.374  -1.899  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.599   0.289  -2.154  0.00  0.00    +0.209 C 
ATOM      9  O   LIG    1        2.367  -0.112  -3.021  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        1.039  -0.647  -1.158  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -0.045   3.458  -0.952  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        0.205  -0.285  -0.185  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1       -1.453   0.803   2.246  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1       -0.366  -0.007   2.758  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1       -2.151   1.723   3.121  0.00  0.00    -0.146 OA
BRANCH  13  19
ATOM     16  C   LIG    1       -5.329   0.046  -1.195  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.498  -0.517  -0.081  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1       -3.522   0.265   0.545  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -2.721  -0.271   1.570  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1       -2.900  -1.597   2.001  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -2.107  -2.231   3.109  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1       -3.863  -2.378   1.342  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.647  -1.849   0.313  0.00  0.00    +0.004 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH  10  24
ATOM     24  N   LIG    1        1.359  -2.029  -1.311  0.00  0.00    -0.212 N 
ATOM     25  H   LIG    1        1.862  -2.221  -2.187  0.00  0.00    +0.174 HD
BRANCH  24  26
ATOM     26  S   LIG    1        2.193  -2.790  -0.042  0.00  0.00    +0.072 S 
ATOM     27  O   LIG    1        3.021  -3.806  -0.656  0.00  0.00    -0.150 OA
ATOM     28  O   LIG    1        1.229  -3.121   0.984  0.00  0.00    -0.150 OA
BRANCH  26  29
ATOM     29  C   LIG    1        3.282  -1.533   0.588  0.00  0.00    +0.108 A 
ATOM     30  C   LIG    1        3.015  -0.931   1.822  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1        3.861   0.073   2.290  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.970   0.462   1.536  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.242  -0.155   0.313  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        4.401  -1.160  -0.164  0.00  0.00    +0.029 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 5