REMARK  Name = BDB027502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176   0.384   0.586  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        1.069   0.084   0.025  0.00  0.00    +0.230 A 
ATOM      3  N   LIG    1        2.165   0.874   0.149  0.00  0.00    -0.219 NA
ATOM      4  C   LIG    1        2.033   1.985   0.913  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        0.846   2.365   1.532  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -0.267   1.542   1.370  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -4.114  -2.748   1.432  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -3.126  -1.860   0.765  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -3.068  -1.541  -0.581  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.998  -0.690  -0.794  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -1.721  -0.188  -2.066  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -2.488  -0.545  -3.105  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -3.548  -1.400  -2.916  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.131  -1.677  -3.697  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.357  -0.464   0.415  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -3.910  -1.943  -1.692  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -4.877  -2.694  -1.606  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -2.050  -1.172   1.385  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        0.722   3.534   2.337  0.00  0.00    -0.219 N 
ATOM     20  H   LIG    1       -0.045   3.580   3.008  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.150   5.040   1.724  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        0.821   5.992   2.763  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        2.476   4.974   1.154  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1       -0.028   5.259   0.405  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        1.176  -1.060  -0.756  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.380  -1.718  -0.685  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1        2.863  -2.248   0.515  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1        2.161  -2.113   1.650  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        4.066  -2.943   0.549  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1        4.774  -3.114  -0.633  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        5.934  -3.784  -0.614  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.297  -2.612  -1.843  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        3.087  -1.916  -1.872  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5