REMARK  Name = BDB032894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.816   0.896   0.356  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -0.514   0.980  -0.183  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.204   2.000  -1.100  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.157   2.962  -1.433  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.421   2.916  -0.852  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.745   1.892   0.041  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.525  -0.023   0.195  0.00  0.00    +0.252 C 
ATOM      8  N   LIG    1        1.813   0.457   0.249  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        1.996   1.447   0.152  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        0.151  -1.159   0.465  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.949  -0.256   0.542  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        2.961  -1.945   0.773  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        4.639  -1.883   1.039  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1        5.088  -0.587   0.929  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        4.111   0.351   0.635  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        5.449  -3.072   1.336  0.00  0.00    -0.022 NA
ATOM     17  O   LIG    1        6.656  -2.851   1.488  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  18
ATOM     18  N   LIG    1       -2.179  -0.149   1.280  0.00  0.00    -0.220 N 
ATOM     19  H   LIG    1       -1.390  -0.742   1.572  0.00  0.00    +0.173 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.899  -2.037  -0.526  0.00  0.00    +0.218 C 
ATOM     21  S   LIG    1       -3.487  -1.161   0.911  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1       -3.576  -2.116   1.995  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -4.635  -0.370   0.524  0.00  0.00    -0.155 OA
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5