REMARK  Name = BDB019037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.280  -2.202   0.538  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -0.860  -0.967   0.076  0.00  0.00    +0.081 A 
ATOM      3  N   LIG    1        0.501  -1.086  -0.116  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.309  -0.045  -0.620  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.762   1.109  -0.898  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.596   1.248  -0.691  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.847  -2.349   0.285  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.435   0.294  -0.233  0.00  0.00    +0.026 A 
ATOM      9  N   LIG    1       -0.198  -3.046   0.672  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.855   0.650  -0.064  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.705   0.728  -1.176  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.053   1.055  -1.013  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.546   1.314   0.269  0.00  0.00    +0.088 A 
ATOM     14  C   LIG    1       -4.715   1.226   1.388  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.368   0.899   1.218  0.00  0.00    +0.010 A 
BRANCH  13  16
ATOM     16  S   LIG    1       -7.266   1.712   0.483  0.00  0.00    -0.006 S 
ATOM     17  O   LIG    1       -7.983   1.179  -0.659  0.00  0.00    -0.170 OA
ATOM     18  O   LIG    1       -7.634   1.336   1.835  0.00  0.00    -0.170 OA
ATOM     19  C   LIG    1       -7.290   3.482   0.375  0.00  0.00    +0.200 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -2.809  -4.166   0.983  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -2.658  -2.655   0.893  0.00  0.00    +0.054 C 
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  N   LIG    1        2.659  -0.275  -0.805  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.932  -1.236  -0.981  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.477   0.682  -1.531  0.00  0.00    +0.142 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.931   0.326  -1.357  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.688  -0.126  -2.440  0.00  0.00    +0.131 A 
ATOM     27  F   LIG    1        5.120  -0.251  -3.647  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.027  -0.459  -2.295  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1        7.619  -0.340  -1.043  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1        8.914  -0.666  -0.916  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        6.896   0.107   0.069  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1        5.548   0.439  -0.095  0.00  0.00    +0.056 A 
BRANCH  31  33
ATOM     33  O   LIG    1        7.595   0.177   1.243  0.00  0.00    -0.492 OA
ATOM     34  C   LIG    1        6.894   0.625   2.396  0.00  0.00    +0.277 C 
ENDBRANCH  31  33
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7