REMARK  Name = BDB051139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.521   1.321   0.425  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.485   2.211   0.904  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.809   2.133   0.469  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        4.190   1.160  -0.463  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        3.221   0.266  -0.940  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.895   0.347  -0.501  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.266   1.509   0.934  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.735   0.560   0.559  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.039   0.935   1.272  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.790  -0.171  -0.030  0.00  0.00    +0.215 C 
ATOM     11  N   LIG    1       -3.077  -0.093   1.163  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -3.112  -1.091   2.224  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1       -3.556   0.591  -0.968  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.859  -1.252  -0.128  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.693  -1.203  -1.412  0.00  0.00    +0.009 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.681   1.145  -1.106  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -6.953  -0.336  -1.309  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        5.623   1.056  -0.932  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.410   0.016  -0.199  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        6.780  -1.192  -0.647  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1        7.518  -1.923   0.229  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1        7.876  -2.850   0.066  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1        7.782  -1.318   1.434  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1        8.422  -1.789   2.358  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1        7.038   0.283   1.417  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1        6.482  -1.716  -1.863  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1        6.880  -2.599  -1.907  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10