REMARK  Name = BDB032360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.169   0.732  -0.471  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -0.924   0.101  -1.028  0.00  0.00    +0.141 A 
ATOM      3  N   LIG    1       -1.970  -0.355  -0.295  0.00  0.00    -0.238 NA
ATOM      4  C   LIG    1       -1.946  -0.171   1.042  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.879   0.482   1.665  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        0.193   0.943   0.902  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.023  -0.616   1.831  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1       -3.775  -1.746   1.221  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1       -4.955  -1.352   0.394  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1       -5.762  -2.098  -0.326  0.00  0.00    -0.132 NA
ATOM     11  N   LIG    1       -6.713  -1.271  -0.883  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1       -6.471  -0.032  -0.489  0.00  0.00    +0.238 A 
ATOM     13  N   LIG    1       -5.385  -0.055   0.340  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1       -4.744   1.032   1.050  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1       -3.903   0.507   2.228  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -7.207   1.206  -0.831  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1       -7.842   1.720   0.258  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1       -6.366   2.183  -1.267  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1       -8.147   1.038  -1.793  0.00  0.00    -0.163 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  S   LIG    1        1.468   1.291  -1.510  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        2.296   2.208  -0.760  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        0.872   1.690  -2.768  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  N   LIG    1        2.332  -0.120  -1.833  0.00  0.00    -0.216 N 
ATOM     24  H   LIG    1        2.607  -0.195  -2.812  0.00  0.00    +0.174 HD
BRANCH  23  28
ATOM     25  C   LIG    1        6.776  -0.215   0.240  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        5.439  -0.668   0.210  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.594  -0.157  -0.802  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.247  -0.601  -0.848  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        2.755  -1.520   0.082  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        3.590  -2.025   1.070  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        5.139   0.765  -1.713  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        6.468   1.131  -1.595  0.00  0.00    +0.113 A 
ATOM     33  C   LIG    1        4.918  -1.606   1.131  0.00  0.00    +0.012 A 
ATOM     34  N   LIG    1        7.293   0.655  -0.645  0.00  0.00    -0.240 NA
BRANCH  25  35
ATOM     35  N   LIG    1        7.683  -0.653   1.212  0.00  0.00    -0.343 N 
ATOM     36  H   LIG    1        7.337  -0.442   2.141  0.00  0.00    +0.144 HD
ATOM     37  H   LIG    1        8.552  -0.157   1.024  0.00  0.00    +0.144 HD
ENDBRANCH  25  35
ENDBRANCH  23  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 6