REMARK  Name = BDB015498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811   0.679   0.335  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.258   1.484   1.265  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.063   1.689   1.180  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.881   1.139   0.270  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -1.282   0.346  -0.620  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.066   0.100  -0.669  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  N   LIG    1        4.186  -0.952   0.301  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1        5.092   0.049   0.658  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        6.306  -0.123   0.742  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        4.500   1.393   0.950  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        5.447   2.473   1.363  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        3.173   1.563   0.840  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.279   0.488   0.438  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.822  -0.722   0.206  0.00  0.00    +0.099 A 
BRANCH   7  15
ATOM     15  C   LIG    1        4.706  -2.295   0.041  0.00  0.00    +0.124 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.734  -3.453   2.094  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        4.991  -3.094   1.317  0.00  0.00    +0.018 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  N   LIG    1       -2.203  -0.152  -1.577  0.00  0.00    -0.203 N 
ATOM     19  H   LIG    1       -3.103   0.276  -1.346  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.399  -1.833  -1.581  0.00  0.00    +0.047 S 
ATOM     21  O   LIG    1       -1.097  -2.461  -1.494  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1       -3.444  -2.130  -0.626  0.00  0.00    -0.155 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.031  -2.109  -3.249  0.00  0.00    +0.145 C 
ATOM     24  C   LIG    1       -3.229  -3.604  -3.485  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -4.331  -1.351  -3.498  0.00  0.00    +0.033 C 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   5  18
BRANCH   3  26
ATOM     26  O   LIG    1       -1.594   2.491   2.183  0.00  0.00    -0.421 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.831   3.031   1.937  0.00  0.00    +0.167 A 
ATOM     28  C   LIG    1       -3.038   3.959   0.912  0.00  0.00    +0.168 A 
ATOM     29  F   LIG    1       -2.025   4.325   0.115  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -4.292   4.521   0.708  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -5.335   4.156   1.549  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1       -6.549   4.690   1.362  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -5.142   3.249   2.590  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -3.880   2.688   2.793  0.00  0.00    +0.052 A 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 8