REMARK  Name = BDB061115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921  -1.024  -1.184  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.152   0.146  -1.001  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.938   0.408  -1.850  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.286  -0.458  -2.887  0.00  0.00    -0.000 A 
ATOM      5  C   LIG    1        2.415   0.101  -3.544  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        2.726   1.281  -2.910  0.00  0.00    +0.087 A 
ATOM      7  C   LIG    1        0.520  -1.619  -3.084  0.00  0.00    +0.010 A 
ATOM      8  N   LIG    1        1.837   1.457  -1.880  0.00  0.00    -0.347 N 
ATOM      9  C   LIG    1       -0.569  -1.884  -2.238  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -3.591  -2.743   0.857  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -4.174  -1.693   1.446  0.00  0.00    -0.197 NA
ATOM     12  C   LIG    1       -3.663  -0.495   1.114  0.00  0.00    +0.272 A 
ATOM     13  N   LIG    1       -2.641  -0.232   0.284  0.00  0.00    -0.212 NA
ATOM     14  C   LIG    1       -2.063  -1.307  -0.283  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -2.514  -2.591  -0.005  0.00  0.00    +0.072 A 
BRANCH  12  16
ATOM     16  S   LIG    1       -4.387   0.918   1.922  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1       -3.328   1.671   2.577  0.00  0.00    -0.167 OA
ATOM     18  O   LIG    1       -5.296   1.564   0.989  0.00  0.00    -0.167 OA
ATOM     19  C   LIG    1       -5.378   0.219   3.215  0.00  0.00    +0.204 C 
ENDBRANCH  12  16
BRANCH  10  21
ATOM     20  C   LIG    1       -5.189  -4.140   2.011  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1       -4.014  -4.049   1.158  0.00  0.00    -0.332 N 
ATOM     22  H   LIG    1       -4.131  -4.581   0.300  0.00  0.00    +0.147 HD
ENDBRANCH  10  21
ENDBRANCH   1  14
BRANCH   8  23
ATOM     23  C   LIG    1        1.802   2.622  -1.009  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.313   2.368   0.413  0.00  0.00    +0.037 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.807   2.667   0.604  0.00  0.00    +0.085 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.715   1.884  -0.243  0.00  0.00    -0.308 NA
ATOM     27  C   LIG    1        6.078   2.413  -0.155  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        4.715   0.463   0.115  0.00  0.00    +0.104 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7