REMARK  Name = BDB000233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.037  -0.765   0.731  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -0.825  -0.241   1.175  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.325  -0.378   0.392  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        0.276  -1.070  -0.823  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -0.950  -1.586  -1.261  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.102  -1.451  -0.481  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.381  -1.238  -1.677  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1        1.177  -1.436  -2.650  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1        2.727  -1.078  -1.481  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        3.163  -1.169  -0.187  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.525  -1.651   0.431  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.442  -0.944  -2.471  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.465  -0.941   0.297  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.737  -1.319   1.618  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        6.009  -1.118   2.195  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1        7.008  -0.521   1.419  0.00  0.00    +0.053 A 
ATOM     17 CL   LIG    1        8.595  -0.230   2.031  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        6.739  -0.133   0.105  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        5.473  -0.339  -0.452  0.00  0.00    +0.025 A 
BRANCH  15  20
ATOM     20  C   LIG    1        6.265  -1.543   3.615  0.00  0.00    +0.419 C 
ATOM     21  F   LIG    1        7.248  -2.477   3.727  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.616  -0.509   4.427  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        5.168  -2.104   4.205  0.00  0.00    -0.166 F 
ENDBRANCH  15  20
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  24
ATOM     24  O   LIG    1       -3.129  -0.624   1.555  0.00  0.00    -0.456 OA
BRANCH  24  29
ATOM     25  C   LIG    1       -5.466   1.517  -0.285  0.00  0.00    +0.129 A 
ATOM     26  N   LIG    1       -6.655   0.922  -0.011  0.00  0.00    -0.250 NA
ATOM     27  C   LIG    1       -6.633  -0.165   0.786  0.00  0.00    +0.115 A 
ATOM     28  C   LIG    1       -5.474  -0.705   1.312  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1       -4.268  -0.092   0.994  0.00  0.00    +0.132 A 
ATOM     30  C   LIG    1       -4.251   1.053   0.202  0.00  0.00    +0.079 A 
BRANCH  25  34
ATOM     31  C   LIG    1       -4.487   3.980  -2.997  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1       -4.462   2.907  -2.035  0.00  0.00    -0.313 N 
ATOM     33  H   LIG    1       -3.872   2.111  -2.236  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -5.521   2.741  -1.151  0.00  0.00    +0.262 C 
ATOM     35  O   LIG    1       -6.458   3.529  -1.082  0.00  0.00    -0.269 OA
ENDBRANCH  25  34
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 6