REMARK  Name = BDB015602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.757  -1.145   0.236  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        2.113  -0.188   1.094  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        1.121   0.591   1.524  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -0.165   0.489   1.161  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -0.471  -0.491   0.285  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.479  -1.350  -0.222  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.892  -0.595  -0.126  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.577   0.538  -0.370  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.905   0.530  -0.763  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.555   1.807  -1.021  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.630  -0.647  -0.938  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.803  -0.692  -1.300  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.888  -1.917  -0.646  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.656  -3.192  -0.792  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.601  -1.858  -0.265  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.833  -1.920  -0.251  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.619  -2.872  -0.540  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.776  -1.174  -1.428  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.965  -0.216  -2.148  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.417  -2.269  -2.126  0.00  0.00    -0.155 OA
BRANCH  18  22
ATOM     21  C   LIG    1        6.068   0.311  -1.334  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1        5.017  -0.330  -0.449  0.00  0.00    +0.185 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  23
ATOM     23  O   LIG    1        1.504   1.569   2.411  0.00  0.00    -0.453 OA
BRANCH  23  24
ATOM     24  C   LIG    1        0.413   2.377   2.864  0.00  0.00    +0.345 C 
BRANCH  24  25
ATOM     25  C   LIG    1        0.910   3.424   3.842  0.00  0.00    +0.424 C 
ATOM     26  F   LIG    1        1.475   2.862   4.933  0.00  0.00    -0.167 F 
ATOM     27  F   LIG    1       -0.117   4.194   4.272  0.00  0.00    -0.167 F 
ATOM     28  F   LIG    1        1.820   4.247   3.276  0.00  0.00    -0.167 F 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7