REMARK  Name = BDB001704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.594   2.978   0.618  0.00  0.00    +0.259 C 
ATOM      2  C   LIG    1        1.045   4.158   1.472  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.823   2.517   1.016  0.00  0.00    +0.258 C 
ATOM      4  N   LIG    1       -1.107   1.245   0.540  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -0.334   0.756   0.106  0.00  0.00    +0.155 HD
ATOM      6  O   LIG    1       -1.593   3.246   1.634  0.00  0.00    -0.271 OA
BRANCH   4   7
ATOM      7  C   LIG    1       -2.311   0.525   0.662  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -3.466   1.023   1.250  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -4.626   0.234   1.325  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -4.678  -1.075   0.822  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.500  -1.553   0.231  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -2.337  -0.772   0.149  0.00  0.00    +0.025 A 
BRANCH  10  13
ATOM     13  N   LIG    1       -5.822  -1.845   0.897  0.00  0.00    -0.326 N 
ATOM     14  C   LIG    1       -5.784  -3.314   0.805  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -6.950  -3.927   1.600  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -8.246  -3.500   1.160  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -8.248  -2.178   0.603  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -7.147  -1.258   1.158  0.00  0.00    +0.133 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  O   LIG    1        1.509   1.878   0.789  0.00  0.00    -0.451 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.641   1.929   0.035  0.00  0.00    +0.325 C 
ATOM     21  O   LIG    1        2.910   2.803  -0.780  0.00  0.00    -0.249 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.544   0.751   0.355  0.00  0.00    +0.225 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.512  -0.379  -0.601  0.00  0.00    +0.251 C 
ATOM     24  N   LIG    1        4.633   0.684  -0.602  0.00  0.00    -0.300 N 
ATOM     25  H   LIG    1        4.838   1.521  -1.134  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        5.339  -1.319   0.173  0.00  0.00    -0.270 OA
BRANCH  23  30
ATOM     27  C   LIG    1       10.014  -1.313  -3.238  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        8.723  -0.726  -2.780  0.00  0.00    -0.013 A 
ATOM     29  S   LIG    1        7.880  -1.437  -1.475  0.00  0.00    -0.089 S 
ATOM     30  C   LIG    1        6.612  -0.279  -1.552  0.00  0.00    +0.074 A 
ATOM     31  C   LIG    1        6.839   0.626  -2.575  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        8.054   0.370  -3.278  0.00  0.00    +0.011 A 
ENDBRANCH  23  30
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8