REMARK  Name = BDB049626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.730   0.190  -0.763  0.00  0.00    +0.196 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.852  -2.234   0.721  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -3.826  -1.681  -0.049  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.808  -1.830  -1.429  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.659  -1.167  -1.919  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.992  -0.619  -0.837  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -4.761  -2.508  -2.112  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -5.743  -3.035  -1.352  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -2.714  -0.948   0.289  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -2.450  -0.697   1.237  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -5.840  -2.934   0.027  0.00  0.00    +0.037 A 
BRANCH   2  13
ATOM     12  O   LIG    1       -4.020  -1.455   2.830  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.856  -2.062   2.186  0.00  0.00    +0.339 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.905  -2.660   2.775  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.785  -2.470   3.729  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.000   1.672  -0.955  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -0.870   2.301  -2.206  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -0.366   1.446  -3.622  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -1.144   3.666  -2.352  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.556   4.424  -1.257  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -1.699   3.819  -0.013  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.427   2.458   0.135  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  O   LIG    1       -0.193  -0.048   0.549  0.00  0.00    -0.365 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.191  -0.414   0.550  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.113   0.778   0.226  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.558   0.551   0.345  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        4.060  -0.556  -0.460  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        5.586  -0.468  -0.583  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        6.273  -0.006   0.705  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.370  -0.207   1.914  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        4.026   0.513   1.736  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8