REMARK  Name = BDB057647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -0.233   2.315  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.254   0.168   1.238  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.452  -0.504   0.954  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.809  -1.581   1.781  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.975  -2.297   1.513  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.250  -3.072   2.102  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.806  -2.031   0.467  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.440  -0.891  -0.433  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.409  -0.723  -1.573  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -5.776   0.300  -2.931  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.082   1.622  -1.917  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.982   1.079  -1.007  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.820  -2.699   0.285  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -3.024  -1.964   2.874  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.345  -0.138  -0.178  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.843  -1.280   3.148  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        3.035   0.876  -0.257  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        1.770   0.208  -0.626  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        0.948  -0.336   0.559  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        0.752   0.664   1.618  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.201   0.499   2.626  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1       -0.075   0.949   3.763  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        1.958   1.409   1.986  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        2.740   1.912   0.759  0.00  0.00    +0.103 C 
BRANCH  17  25
ATOM     25  C   LIG    1        4.075  -0.051   0.208  0.00  0.00    +0.085 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.665  -0.968  -0.879  0.00  0.00    +0.018 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.498   0.667  -1.596  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        5.409  -0.302  -2.056  0.00  0.00    -0.016 C 
ATOM     29  C   LIG    1        4.478   0.376  -3.060  0.00  0.00    +0.007 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 4