REMARK  Name = BDB015565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.224   0.238  -0.508  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.592  -0.798  -0.316  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.897  -0.491  -0.257  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.415   0.734  -0.415  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.543   1.744  -0.608  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.184   1.534  -0.692  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.147   3.089  -0.770  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -1.569   4.162  -0.197  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -2.098   5.440  -0.312  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1       -1.399   6.536   0.344  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.277   5.709  -1.018  0.00  0.00    +0.269 A 
ATOM     12  O   LIG    1       -3.752   6.835  -1.145  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -3.940   4.510  -1.626  0.00  0.00    +0.106 A 
ATOM     14 CL   LIG    1       -5.412   4.735  -2.490  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1       -3.393   3.295  -1.492  0.00  0.00    +0.037 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.577  -0.179  -0.606  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.558  -1.198  -0.520  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.605   0.432   0.587  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.517  -0.463   1.718  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.368   1.853   0.737  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.208   0.248  -0.184  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.501  -1.117  -0.800  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.610  -2.130   1.268  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.576  -2.301   0.167  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -2.832  -1.497  -0.035  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.323  -2.731   0.309  0.00  0.00    +0.152 A 
ATOM     27  C   LIG    1       -1.948  -3.005   1.635  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1       -1.451  -4.272   1.960  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -1.345  -5.257   0.978  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -1.745  -4.988  -0.332  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -2.252  -3.729  -0.680  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -2.674  -3.453  -2.095  0.00  0.00    +0.047 C 
BRANCH  27  33
ATOM     33  C   LIG    1       -2.074  -2.017   2.666  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -2.176  -1.226   3.509  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9