REMARK  Name = BDB014458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.109  -1.022   1.293  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.525   0.138   0.840  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.145   0.774   0.345  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.459  -1.962   1.745  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.638  -1.035   1.244  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.122   0.006   0.397  0.00  0.00    -0.483 OA
BRANCH   6  10
ATOM      7  C   LIG    1        7.200   0.560  -0.183  0.00  0.00    +0.105 A 
ATOM      8  C   LIG    1        6.796  -0.475   0.662  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        5.433  -0.698   0.882  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.479   0.115   0.265  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.899   1.155  -0.572  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        6.257   1.386  -0.797  0.00  0.00    +0.032 A 
BRANCH   7  13
ATOM     13  S   LIG    1        8.927   0.860  -0.457  0.00  0.00    +0.056 S 
ATOM     14  O   LIG    1        9.109   2.270  -0.706  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        9.681   0.140   0.543  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1        9.187   0.036  -1.902  0.00  0.00    -0.204 NA
ATOM     17  H   LIG    1        9.844  -0.728  -1.733  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        8.329  -0.288  -2.346  0.00  0.00    +0.144 HD
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.915   0.298   0.666  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.699   0.303   1.989  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.932  -1.027   2.466  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.101  -1.533   2.332  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.043   1.082   1.921  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.136   0.683   1.018  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.967   1.098  -0.376  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.125   0.700  -1.268  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.002  -0.334  -0.893  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.043  -0.710  -1.751  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.200  -0.082  -2.986  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.322   0.930  -3.370  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.862  -0.985   0.460  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.288   1.317  -2.518  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.491  -0.736   1.106  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10