REMARK  Name = BDB059202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.077   2.565  -1.291  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.139   1.621  -1.161  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.090   0.937   0.007  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.995   1.160   1.033  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        1.948   2.135   0.784  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.990   2.854  -0.360  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.997  -0.059   0.054  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.976  -0.038   1.060  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.993  -0.995   1.096  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.085  -1.949   0.076  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -2.120  -1.995  -0.944  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.089  -1.048  -0.945  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -3.878  -0.865   2.134  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -4.121  -2.087   2.831  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.110  -2.865   0.076  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.206  -2.361  -0.689  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -2.279  -2.982  -1.883  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -1.325  -3.048  -2.934  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        0.963   0.418   2.252  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        0.918  -0.167   3.253  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        1.127   3.437  -2.829  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        1.438   5.114  -2.207  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -0.641   6.118  -0.866  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        0.294   5.666  -1.470  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        3.221   2.579   1.959  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1        4.333   1.261   1.635  0.00  0.00    +0.141 A 
ATOM     27  S   LIG    1        5.961   1.296   2.169  0.00  0.00    -0.069 S 
ATOM     28  C   LIG    1        6.204  -0.258   1.489  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        5.035  -0.707   0.903  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        4.827  -2.006   0.215  0.00  0.00    +0.066 C 
ATOM     31  N   LIG    1        3.968   0.172   0.992  0.00  0.00    -0.238 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10