REMARK  Name = BDB029967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.577   1.657   0.456  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -2.363   0.968   0.621  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.170   1.650   0.914  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -1.201   3.037   1.042  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.077   3.719   1.316  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -2.400   3.732   0.882  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1       -2.440   5.447   1.044  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.583   3.050   0.591  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -6.063  -0.804  -0.170  0.00  0.00    +0.136 A 
ATOM     10  N   LIG    1       -6.823   0.323  -0.376  0.00  0.00    -0.335 N 
ATOM     11  C   LIG    1       -8.213   0.363  -0.761  0.00  0.00    +0.150 C 
ATOM     12  C   LIG    1       -6.024   1.416  -0.171  0.00  0.00    +0.115 A 
ATOM     13  C   LIG    1       -4.786   0.906   0.154  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -4.827  -0.469   0.151  0.00  0.00    -0.230 NA
BRANCH   9  15
ATOM     15  C   LIG    1       -6.583  -2.198  -0.301  0.00  0.00    +0.233 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.051  -2.690  -2.556  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1       -7.088  -2.387  -1.627  0.00  0.00    -0.375 OA
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  13
BRANCH   3  18
ATOM     18  C   LIG    1        0.077   0.857   1.073  0.00  0.00    +0.262 C 
ATOM     19  N   LIG    1        1.238   1.536   1.400  0.00  0.00    -0.228 N 
ATOM     20  H   LIG    1        1.317   2.544   1.238  0.00  0.00    +0.171 HD
ATOM     21  O   LIG    1        0.075  -0.362   0.910  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  N   LIG    1        2.543   0.750   1.196  0.00  0.00    -0.112 NA
ATOM     23  H   LIG    1        2.318  -0.234   0.972  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  S   LIG    1        3.540   1.396  -0.035  0.00  0.00    +0.045 S 
ATOM     25  O   LIG    1        3.381   0.547  -1.192  0.00  0.00    -0.157 OA
ATOM     26  O   LIG    1        3.233   2.813  -0.097  0.00  0.00    -0.157 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.163   1.202   0.692  0.00  0.00    +0.190 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.934  -0.094   0.422  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        6.422  -0.236  -1.025  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        7.440  -1.374  -1.167  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        7.265  -2.488  -0.132  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        5.810  -2.653   0.283  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        5.224  -1.374   0.893  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 8