REMARK  Name = BDB059412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.006   0.360  -0.318  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.124  -0.266   0.258  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        2.325   0.436   0.418  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.428   1.753  -0.030  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.335   2.362  -0.643  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.129   1.676  -0.786  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.771  -2.795  -1.673  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.992  -1.715  -1.014  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -3.449  -0.824  -0.056  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.409   0.015   0.303  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -2.583   1.006   1.270  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.778   1.160   1.857  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -4.826   0.341   1.509  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -5.731   0.452   1.949  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.284  -0.322  -0.433  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.749  -0.675   0.566  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -5.734  -1.365   0.315  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.627  -1.394  -1.240  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        1.422   3.732  -1.030  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        0.968   3.954  -1.920  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        0.925   4.874   0.122  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        0.172   4.229   1.175  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        0.364   5.969  -0.641  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        2.492   5.413   0.768  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        0.985  -1.545   0.755  0.00  0.00    -0.452 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.909  -2.482   0.355  0.00  0.00    +0.164 A 
ATOM     27  C   LIG    1        2.309  -2.666  -0.974  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1        1.810  -1.902  -1.957  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        3.224  -3.657  -1.309  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1        3.726  -4.477  -0.307  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        4.607  -5.436  -0.620  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.324  -4.326   1.018  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        2.405  -3.329   1.350  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5