REMARK  Name = BDB015597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.858  -1.750   0.546  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.601  -0.672   0.243  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.942   0.473  -0.018  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.434   0.535  -0.027  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.083  -0.627   0.309  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.479  -1.790   0.560  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.795   1.643  -0.346  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.445   2.879   0.062  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.218   3.998  -0.214  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.759   5.293   0.265  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.418   3.923  -0.918  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        4.136   4.878  -1.198  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.828   2.561  -1.342  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.057   1.503  -1.061  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -2.495  -0.776   0.296  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1       -2.668  -1.753   0.550  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.344   0.222   1.361  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1       -2.906   1.593   1.206  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.331  -0.431   2.650  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -5.003   0.095   0.694  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.107   0.622  -0.735  0.00  0.00    +0.033 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.544   0.710  -1.260  0.00  0.00    +0.115 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -7.238  -0.629  -1.396  0.00  0.00    +0.390 C 
ATOM     24  F   LIG    1       -7.417  -1.212  -0.192  0.00  0.00    -0.171 F 
ATOM     25  F   LIG    1       -6.519  -1.473  -2.164  0.00  0.00    -0.171 F 
ATOM     26  F   LIG    1       -8.452  -0.480  -1.964  0.00  0.00    -0.171 F 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  27
ATOM     27  O   LIG    1        1.483  -2.970   0.776  0.00  0.00    -0.420 OA
BRANCH  27  30
ATOM     28  C   LIG    1        3.370  -4.085  -1.041  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1        3.769  -3.473   0.270  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1        2.811  -2.909   1.126  0.00  0.00    +0.170 A 
ATOM     31  C   LIG    1        3.197  -2.360   2.351  0.00  0.00    +0.166 A 
ATOM     32  F   LIG    1        2.277  -1.864   3.192  0.00  0.00    -0.202 F 
ATOM     33  C   LIG    1        4.536  -2.324   2.723  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        5.500  -2.856   1.869  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        5.120  -3.429   0.650  0.00  0.00    +0.007 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 9