REMARK  Name = BDB015560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.813  -1.097  -0.293  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.995  -0.270   0.743  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.883   0.300   1.218  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.365   0.055   0.782  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.503  -0.844  -0.214  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.584  -1.449  -0.802  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.897  -1.113  -0.646  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.281  -2.366  -0.976  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.584  -2.668  -1.356  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.904  -4.038  -1.730  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.579  -1.693  -1.453  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.734  -1.893  -1.824  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.173  -0.315  -1.060  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.911  -0.064  -0.685  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.024  -1.674  -0.710  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.784  -1.641  -0.017  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.441  -1.865  -2.300  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.327  -3.018  -2.333  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.260  -1.826  -3.145  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.458  -0.434  -2.677  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.966   1.772  -1.517  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        3.719   0.905  -2.745  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1        1.089   1.233   2.233  0.00  0.00    -0.422 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.024   1.931   2.646  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1       -0.464   3.059   1.933  0.00  0.00    +0.094 A 
ATOM     26  C   LIG    1       -1.585   3.765   2.385  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -2.254   3.349   3.538  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -1.800   2.236   4.258  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.677   1.522   3.825  0.00  0.00    -0.007 A 
ATOM     30  C   LIG    1       -0.206   0.326   4.597  0.00  0.00    +0.047 C 
BRANCH  25  31
ATOM     31  C   LIG    1        0.201   3.491   0.737  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1        0.736   3.838  -0.236  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8