REMARK  Name = BDB026374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.736  -2.154  -0.672  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.983  -1.375  -1.645  0.00  0.00    +0.116 C 
ATOM      3  C   LIG    1       -0.128  -1.362  -0.648  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -1.322  -2.244  -0.855  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1       -2.112  -1.070  -0.467  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -3.450  -0.862  -0.716  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -4.187  -1.780  -1.071  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -0.979  -0.145  -0.485  0.00  0.00    +0.119 C 
ATOM      9  C   LIG    1        0.864  -1.723   0.413  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.878  -3.307  -0.763  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        3.160  -2.107  -0.583  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.923  -0.931  -0.322  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.307  -1.070  -0.263  0.00  0.00    +0.110 A 
ATOM     14  S   LIG    1        6.113   0.395   0.063  0.00  0.00    -0.073 S 
ATOM     15  C   LIG    1        4.648   1.268   0.139  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        6.016  -2.203  -0.433  0.00  0.00    -0.246 NA
ATOM     17  C   LIG    1        3.563   0.445  -0.093  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.261  -3.290  -0.678  0.00  0.00    +0.132 A 
BRANCH  10  20
ATOM     19  N   LIG    1        2.724  -5.575  -1.254  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        3.221  -4.549  -1.032  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
BRANCH  15  21
ATOM     21  C   LIG    1        4.656   2.745   0.422  0.00  0.00    +0.155 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.246   3.077   1.846  0.00  0.00    +0.394 C 
ATOM     23  F   LIG    1        5.079   2.531   2.757  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1        4.258   4.417   2.036  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1        2.991   2.647   2.113  0.00  0.00    -0.170 F 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  11
BRANCH   6  26
ATOM     26  C   LIG    1       -3.920   0.588  -0.519  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1       -3.857   1.018   0.945  0.00  0.00    +0.083 C 
ATOM     28  C   LIG    1       -5.261   0.723   1.459  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -5.942   1.482   0.330  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -5.358   2.905   0.463  0.00  0.00    +0.093 C 
ATOM     31  C   LIG    1       -3.949   2.519   0.852  0.00  0.00    +0.140 C 
ATOM     32  O   LIG    1       -3.014   3.290   1.005  0.00  0.00    -0.297 OA
ATOM     33  N   LIG    1       -5.370   0.777  -0.836  0.00  0.00    -0.302 NA
ATOM     34  H   LIG    1       -5.492   1.293  -1.705  0.00  0.00    +0.123 HD
ENDBRANCH   6  26
TORSDOF 5