REMARK  Name = BDB015661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.297   1.026  -0.351  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.696  -0.111  -0.701  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.515   0.026  -1.259  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.127   1.193  -1.503  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.482   2.312  -1.117  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.763   2.278  -0.527  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.177   3.601  -1.365  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.912   3.732  -2.486  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.585   4.904  -2.801  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        3.351   4.950  -4.037  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.557   6.025  -1.977  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        3.121   7.091  -2.206  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.773   5.878  -0.724  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.135   4.733  -0.450  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.550   0.856   0.278  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -3.186   1.651   0.267  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.500   0.183   1.818  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -3.722   0.643   2.448  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -1.216   0.482   2.417  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.643  -1.593   1.495  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1       -3.950  -1.933   0.787  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -3.497  -2.310   3.836  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -2.414  -2.420   2.772  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1        1.240  -1.101  -1.625  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1        0.751  -2.300  -1.159  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1        1.048  -2.737   0.148  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        0.517  -3.982   0.537  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -0.248  -4.765  -0.336  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -0.504  -4.316  -1.629  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        0.001  -3.088  -2.035  0.00  0.00    +0.166 A 
ATOM     31  F   LIG    1       -0.250  -2.660  -3.281  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  C   LIG    1        1.852  -1.905   1.123  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1        3.269  -1.502   0.784  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        3.023  -2.513   1.861  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8