REMARK  Name = BDB001627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.314   0.531   0.232  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -1.233   0.178  -0.757  0.00  0.00    +0.093 A 
ATOM      3  C   LIG    1       -2.590   0.161  -0.441  0.00  0.00    +0.142 A 
ATOM      4  C   LIG    1       -3.016   0.510   0.844  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -4.460   0.486   1.153  0.00  0.00    +0.211 A 
ATOM      6  C   LIG    1       -5.345   0.070   0.042  0.00  0.00    +0.123 A 
ATOM      7  C   LIG    1       -4.799  -0.236  -1.138  0.00  0.00    +0.219 A 
ATOM      8 CL   LIG    1       -7.039  -0.002   0.302  0.00  0.00    -0.076 Cl
ATOM      9  O   LIG    1       -4.872   0.798   2.263  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -2.086   0.882   1.823  0.00  0.00    +0.019 A 
ATOM     11  O   LIG    1       -3.458  -0.205  -1.441  0.00  0.00    -0.461 OA
ATOM     12  C   LIG    1       -0.726   0.899   1.513  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        1.048   0.595  -0.070  0.00  0.00    -0.422 OA
BRANCH  13  15
ATOM     14  O   LIG    1        1.134  -1.732   0.081  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        1.657  -0.645  -0.112  0.00  0.00    +0.345 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.100  -0.488  -0.437  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        3.690   0.755  -0.672  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.042   0.786  -0.967  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        5.818  -0.315  -1.040  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        5.225  -1.505  -0.808  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.883  -1.643  -0.506  0.00  0.00    +0.034 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 3