REMARK  Name = BDB036483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.350   0.001   0.797  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.559  -0.208   1.961  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1        0.201   0.152   1.999  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.369   0.733   0.851  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.426   0.925  -0.262  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -0.314   1.494  -1.249  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.609   1.684  -0.804  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -1.639   1.227   0.451  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.773   0.581  -0.342  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.708  -0.397   0.846  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1        3.945  -0.788   1.754  0.00  0.00    +0.155 HD
BRANCH  10  15
ATOM     12  C   LIG    1        6.685  -0.671  -0.675  0.00  0.00    +0.228 A 
ATOM     13  O   LIG    1        6.030  -0.117  -1.732  0.00  0.00    -0.336 OA
ATOM     14  N   LIG    1        4.720   0.091  -1.312  0.00  0.00    -0.040 NA
ATOM     15  C   LIG    1        4.711  -0.354  -0.048  0.00  0.00    +0.260 A 
ATOM     16  N   LIG    1        5.921  -0.839   0.379  0.00  0.00    -0.178 NA
BRANCH  12  18
ATOM     17  C   LIG    1        8.999   0.202  -0.532  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1        8.117  -0.989  -0.865  0.00  0.00    +0.095 C 
ENDBRANCH  12  18
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        2.237  -0.784   3.015  0.00  0.00    -0.493 OA
ATOM     20  C   LIG    1        1.521  -0.972   4.229  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
BRANCH   8  21
ATOM     21  N   LIG    1       -2.769   1.217   1.258  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -2.768   0.673   2.114  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -4.317   1.545   0.706  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.205   1.124   1.774  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.324   2.920   0.254  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.563   0.418  -0.637  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -4.271  -0.941  -0.449  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -4.396  -1.845  -1.510  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.873  -1.408  -2.744  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -5.217  -0.069  -2.919  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -5.048   0.849  -1.874  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -3.804  -1.402   0.757  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.781  -2.228   1.399  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -5.484   2.130  -2.072  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.589   2.859  -2.914  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 9