REMARK  Name = BDB002475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.946  -3.987  -0.659  0.00  0.00    +0.170 C 
ATOM      2  O   LIG    1        0.621  -4.355  -1.794  0.00  0.00    -0.294 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.055  -3.375   0.339  0.00  0.00    +0.160 C 
BRANCH   3   7
ATOM      4  N   LIG    1       -2.152   0.064   0.076  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1       -2.078  -0.906   1.177  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -2.244  -2.349   0.653  0.00  0.00    +0.104 C 
ATOM      7  N   LIG    1       -1.226  -2.771  -0.333  0.00  0.00    -0.292 NA
ATOM      8  C   LIG    1       -0.817  -1.626  -1.187  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1       -1.813  -0.443  -1.268  0.00  0.00    +0.120 C 
BRANCH   4  11
ATOM     10  C   LIG    1       -2.715   2.360  -0.658  0.00  0.00    +0.141 A 
ATOM     11  C   LIG    1       -2.287   1.428   0.317  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -2.007   1.968   1.587  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.090   3.342   1.857  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.458   4.230   0.855  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -2.770   3.740  -0.405  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.503   1.729  -1.945  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.094   1.962  -1.921  0.00  0.00    -0.493 OA
ENDBRANCH  10  17
ENDBRANCH   4  11
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        2.384  -4.146  -0.212  0.00  0.00    +0.214 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.088  -2.839  -0.402  0.00  0.00    +0.103 A 
ATOM     20  S   LIG    1        4.522  -2.768  -1.352  0.00  0.00    -0.078 S 
ATOM     21  C   LIG    1        4.627  -1.085  -1.057  0.00  0.00    +0.075 A 
ATOM     22  C   LIG    1        3.584  -0.675  -0.251  0.00  0.00    +0.078 A 
ATOM     23  N   LIG    1        2.703  -1.687   0.108  0.00  0.00    -0.242 NA
BRANCH  22  24
ATOM     24  C   LIG    1        3.379   0.706   0.172  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.078   1.179   0.395  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.857   2.508   0.765  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.935   3.374   0.938  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.233   2.912   0.740  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.456   1.586   0.359  0.00  0.00    +0.010 A 
ENDBRANCH  22  24
ENDBRANCH  18  19
BRANCH  18  30
ATOM     30  C   LIG    1        2.472  -4.588   1.181  0.00  0.00    +0.080 C 
ATOM     31  N   LIG    1        2.513  -4.958   2.282  0.00  0.00    -0.195 NA
ENDBRANCH  18  30
ENDBRANCH   1  18
TORSDOF 8