REMARK  Name = BDB034884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.313   0.646  -0.572  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1       -0.525  -0.124  -1.189  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1       -1.919  -0.149  -1.047  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.553  -1.081  -1.857  0.00  0.00    +0.100 A 
ATOM      5  C   LIG    1       -1.747  -1.843  -2.606  0.00  0.00    +0.066 A 
ATOM      6  S   LIG    1       -0.074  -1.422  -2.358  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.629   0.817  -0.283  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -3.537   0.464   0.740  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -4.242   1.480   1.419  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.037   2.825   1.116  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.123   3.178   0.132  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.426   2.185  -0.557  0.00  0.00    +0.027 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.752  -0.969   1.159  0.00  0.00    +0.419 C 
ATOM     14  F   LIG    1       -2.599  -1.687   1.261  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.552  -1.654   0.294  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.355  -1.088   2.378  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  O   LIG    1        2.119   0.984  -1.920  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        1.642   0.536  -0.885  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.503  -0.117   0.139  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.850  -0.429  -0.134  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        4.568  -1.046   0.886  0.00  0.00    +0.139 A 
ATOM     22  N   LIG    1        5.842  -1.272   0.440  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1        6.559  -1.710   0.999  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        5.971  -0.820  -0.846  0.00  0.00    +0.085 A 
ATOM     25  N   LIG    1        4.131  -1.383   2.113  0.00  0.00    -0.237 NA
ATOM     26  C   LIG    1        2.838  -1.060   2.324  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        4.754  -0.294  -1.229  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        1.999  -0.447   1.406  0.00  0.00    +0.033 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4