REMARK  Name = BDB015497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356  -0.931   0.227  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.265  -0.125  -0.849  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.881  -0.168  -1.549  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.913  -0.978  -1.296  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -1.762  -1.771  -0.233  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.659  -1.790   0.586  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  N   LIG    1        3.346   0.560   1.892  0.00  0.00    -0.315 N 
ATOM      8  C   LIG    1        4.038  -0.498   2.480  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        5.094  -0.374   3.095  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.418  -1.853   2.319  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.142  -3.001   2.946  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        2.274  -1.978   1.625  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.607  -0.835   1.020  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.176   0.375   1.172  0.00  0.00    +0.099 A 
BRANCH   7  16
ATOM     15  C   LIG    1        4.858   2.200   0.827  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        3.914   1.904   1.983  0.00  0.00    +0.121 C 
ENDBRANCH   7  16
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  N   LIG    1       -2.891  -2.571   0.052  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1       -2.711  -3.469   0.496  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -4.137  -1.787   0.864  0.00  0.00    +0.047 S 
ATOM     20  O   LIG    1       -4.928  -2.857   1.440  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1       -3.559  -0.771   1.718  0.00  0.00    -0.155 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.093  -1.013  -0.463  0.00  0.00    +0.145 C 
ATOM     23  C   LIG    1       -5.508  -2.025  -1.524  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1       -6.317  -0.319   0.130  0.00  0.00    +0.033 C 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   3  25
ATOM     25  O   LIG    1       -1.020   0.628  -2.680  0.00  0.00    -0.421 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.198   1.725  -2.747  0.00  0.00    +0.167 A 
ATOM     27  C   LIG    1       -0.296   2.774  -1.827  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -1.196   2.722  -0.834  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        0.528   3.886  -1.930  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1        1.444   3.947  -2.973  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        2.245   5.014  -3.083  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        1.539   2.922  -3.913  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        0.707   1.806  -3.806  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7