REMARK  Name = BDB015466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.912  -0.685   0.154  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.467   0.462   0.668  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.831   0.471   1.002  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.683  -0.549   0.834  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.193  -1.666   0.262  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.135  -1.791  -0.086  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.163  -2.770   0.070  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.180  -3.459  -1.086  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.070  -4.497  -1.313  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.014  -5.186  -2.594  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.018  -4.895  -0.371  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.811  -5.819  -0.536  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.036  -4.112   0.907  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.067  -4.493   1.919  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.151  -3.116   1.079  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.284  -0.668  -0.188  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.788  -1.519   0.062  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.612  -0.306  -1.798  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        1.384  -0.094  -2.531  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.547  -1.333  -2.212  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.522   1.231  -1.672  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.695   2.386  -1.126  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.630   3.801  -0.263  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.433   3.725  -1.199  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.393   1.603   1.581  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.573   2.700   1.687  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1        0.294   2.869   2.773  0.00  0.00    +0.083 A 
ATOM     28 CL   LIG    1        0.409   1.697   4.033  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        1.081   4.020   2.857  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        0.985   5.005   1.870  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        0.099   4.839   0.805  0.00  0.00    +0.045 A 
ATOM     32 CL   LIG    1       -0.028   6.063  -0.397  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1       -0.685   3.692   0.709  0.00  0.00    +0.068 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8