REMARK  Name = BDB016958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.823  -1.126  -0.202  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.327  -2.280  -0.765  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -2.694  -2.739  -0.707  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.309  -2.926  -1.402  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        0.822  -2.273  -1.286  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.528  -1.145  -0.536  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.070   1.228  -1.516  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.252   0.931  -0.052  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -1.637  -0.180   0.560  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.806  -0.400   1.936  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.581   0.470   2.705  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.188   1.565   2.100  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.142   2.642   3.045  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.027   1.800   0.734  0.00  0.00    +0.024 A 
ENDBRANCH   1   9
BRANCH   6  15
ATOM     15  C   LIG    1        1.548  -0.157  -0.186  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        1.174   0.901   0.577  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        2.113   1.813   0.900  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.431   1.730   0.499  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.803   0.639  -0.284  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        2.852  -0.320  -0.633  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.191   0.460  -0.765  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.600  -0.457  -1.451  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.012   1.446  -0.360  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        6.879   1.198  -0.745  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   6  15
TORSDOF 4