REMARK  Name = BDB048607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.869   1.719   2.120  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.951   0.457   1.240  0.00  0.00    +0.206 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -2.131  -0.820   2.044  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -3.244  -1.014   2.877  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -3.387  -2.191   3.613  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.422  -3.192   3.522  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.317  -3.020   2.692  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.173  -1.843   1.955  0.00  0.00    +0.007 A 
ENDBRANCH   2   3
BRANCH   2   9
ATOM      9  O   LIG    1       -3.125   0.564   0.382  0.00  0.00    -0.466 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.131   1.079  -0.871  0.00  0.00    +0.229 C 
ATOM     11  S   LIG    1       -1.813   1.773  -1.609  0.00  0.00    +0.006 S 
BRANCH  10  12
ATOM     12  N   LIG    1       -4.386   0.938  -1.387  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1       -5.023   0.435  -0.781  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.839   1.250  -2.733  0.00  0.00    +0.104 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.373  -1.144  -3.389  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -4.580   0.112  -3.720  0.00  0.00    +0.015 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.668   1.760   3.074  0.00  0.00    +0.039 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.668   1.635   2.385  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        1.053   2.546   1.394  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.260   2.384   0.713  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.112   1.316   1.018  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        2.751   0.431   2.041  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        1.539   0.590   2.717  0.00  0.00    +0.004 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.378   1.107   0.224  0.00  0.00    +0.078 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.342  -0.131  -0.685  0.00  0.00    +0.230 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.161  -0.059  -1.657  0.00  0.00    +0.334 C 
ATOM     27  O   LIG    1        2.322  -0.935  -1.816  0.00  0.00    -0.248 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.126   1.059  -2.410  0.00  0.00    -0.479 OA
ATOM     29  H   LIG    1        2.318   0.955  -2.954  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1        5.614  -0.228  -1.336  0.00  0.00    -0.365 OA
BRANCH  30  31
ATOM     31  C   LIG    1        5.790  -1.466  -2.022  0.00  0.00    +0.157 C 
ATOM     32  C   LIG    1        7.188  -1.487  -2.610  0.00  0.00    +0.034 C 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 15