REMARK  Name = BDB015795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.440  -1.246  -0.053  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.490  -0.132  -0.786  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.322   0.499  -0.940  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.846   0.118  -0.395  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.841  -1.012   0.338  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.310  -1.740   0.551  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.145  -1.388   0.937  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.531  -2.679   0.982  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.748  -3.071   1.522  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.082  -4.486   1.530  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.664  -2.158   2.042  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.750  -2.448   2.534  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.258  -0.731   1.971  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.075  -0.390   1.446  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.693  -1.871   0.138  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.683  -2.878   0.287  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.693  -1.145   1.281  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.879  -0.418   2.230  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.562  -2.217   1.721  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.651  -0.009   0.278  0.00  0.00    +0.188 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.784   0.112   1.673  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.592   0.865   1.101  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  O   LIG    1        0.387   1.679  -1.671  0.00  0.00    -0.420 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.817   2.189  -2.095  0.00  0.00    +0.170 A 
ATOM     25  C   LIG    1       -1.540   1.541  -3.104  0.00  0.00    +0.168 A 
ATOM     26  F   LIG    1       -1.073   0.407  -3.647  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1       -2.743   2.059  -3.561  0.00  0.00    +0.080 A 
ATOM     28  C   LIG    1       -3.213   3.242  -3.008  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1       -4.373   3.754  -3.439  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -2.497   3.915  -2.017  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -1.278   3.400  -1.555  0.00  0.00    -0.002 A 
ATOM     32  C   LIG    1       -0.508   4.114  -0.483  0.00  0.00    +0.048 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7