REMARK  Name = BDB015502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509  -0.053   0.684  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.523   1.126   1.335  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.723   1.698   1.528  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        2.900   1.173   1.168  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        2.833  -0.013   0.558  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        1.664  -0.659   0.240  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -2.593  -4.080   0.320  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.290  -2.617   0.260  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.432  -1.704  -0.071  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.542  -2.176  -0.309  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.138  -0.341  -0.074  0.00  0.00    -0.314 N 
ATOM     12  C   LIG    1       -1.863   0.145   0.176  0.00  0.00    +0.099 A 
ATOM     13  C   LIG    1       -0.822  -0.664   0.442  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.075  -2.096   0.499  0.00  0.00    +0.020 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.208   0.605  -0.384  0.00  0.00    +0.128 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.145   1.021  -1.826  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -5.394   1.472  -2.541  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -4.754   0.160  -2.904  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  N   LIG    1        4.112  -0.434   0.128  0.00  0.00    -0.203 N 
ATOM     20  H   LIG    1        4.826   0.208   0.478  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.586  -2.024   0.378  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        5.917  -1.956   0.942  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        3.526  -2.755   1.040  0.00  0.00    -0.155 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.721  -2.630  -1.318  0.00  0.00    +0.145 C 
ATOM     25  C   LIG    1        5.125  -4.101  -1.311  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1        5.706  -1.805  -2.138  0.00  0.00    +0.033 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   3  27
ATOM     27  O   LIG    1        1.803   2.910   2.202  0.00  0.00    -0.421 OA
BRANCH  27  28
ATOM     28  C   LIG    1        0.654   3.661   2.235  0.00  0.00    +0.167 A 
ATOM     29  C   LIG    1        0.071   4.172   1.071  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1        0.616   3.917  -0.128  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -1.074   4.955   1.136  0.00  0.00    +0.080 A 
ATOM     32  C   LIG    1       -1.624   5.236   2.380  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1       -2.728   5.989   2.456  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -1.044   4.755   3.553  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        0.108   3.969   3.482  0.00  0.00    +0.052 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 8