REMARK  Name = BDB012381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.869   0.608   2.403  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.060  -0.821   1.951  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1        2.260  -1.221   1.350  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.430  -2.540   0.919  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1        1.429  -3.488   1.147  0.00  0.00    +0.083 A 
ATOM      6 CL   LIG    1        1.636  -5.150   0.728  0.00  0.00    -0.080 Cl
ATOM      7  C   LIG    1        0.231  -3.098   1.748  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        0.046  -1.771   2.143  0.00  0.00    +0.008 A 
BRANCH   4   9
ATOM      9  O   LIG    1        3.632  -2.855   0.337  0.00  0.00    -0.486 OA
BRANCH   9  10
ATOM     10  C   LIG    1        3.526  -2.936  -1.094  0.00  0.00    +0.264 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.676  -1.577  -1.741  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        2.630  -1.033  -2.503  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.769   0.225  -3.091  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        3.946   0.941  -2.911  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        4.069   2.160  -3.452  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        4.993   0.419  -2.161  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        4.859  -0.841  -1.577  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.372   1.147   1.947  0.00  0.00    -0.471 OA
BRANCH  18  20
ATOM     19  N   LIG    1       -1.688   1.759   0.054  0.00  0.00    -0.182 N 
ATOM     20  C   LIG    1       -0.454   1.521   0.663  0.00  0.00    +0.220 A 
ATOM     21  C   LIG    1        0.498   1.762  -0.307  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1       -0.218   2.142  -1.448  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -1.534   2.133  -1.255  0.00  0.00    -0.170 NA
BRANCH  19  26
ATOM     24  C   LIG    1       -5.372   1.803   0.402  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -4.103   1.950  -0.156  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -2.999   1.628   0.626  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1       -3.132   1.186   1.907  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1       -4.374   1.082   2.424  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -5.522   1.375   1.718  0.00  0.00    +0.035 A 
BRANCH  24  31
ATOM     30  O   LIG    1       -6.609   3.156  -1.103  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -6.549   2.152  -0.418  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -7.529   1.227  -0.344  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -7.276   0.395   0.098  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9