REMARK  Name = BDB036463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.101  -1.601  -0.749  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -2.138  -0.837  -0.147  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -2.142   0.558  -0.286  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.097   1.125  -1.012  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -0.066   0.415  -1.595  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        0.743   1.423  -2.179  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1        0.206   2.637  -2.031  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.933   2.451  -1.265  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -0.074  -0.987  -1.485  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.169  -3.775  -1.105  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -1.189  -2.961  -0.535  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -3.156  -1.537   0.546  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -2.840  -2.475   0.787  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.387  -1.223   0.994  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1       -5.018  -1.968   1.906  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1       -6.204  -1.365   2.071  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1       -6.854  -1.762   2.741  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1       -6.376  -0.277   1.273  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -5.214  -0.166   0.547  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        1.926   1.291  -2.895  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1        2.193   2.133  -3.401  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.293   0.577  -2.217  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1        4.399   1.036  -3.038  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.068  -0.842  -2.053  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.458   1.393  -0.638  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        2.972   0.838   0.554  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        3.161   1.554   1.745  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        3.827   2.784   1.750  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.318   3.318   0.565  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.138   2.624  -0.629  0.00  0.00    +0.032 A 
BRANCH  26  31
ATOM     31  O   LIG    1        2.326  -0.360   0.491  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        1.854  -0.942   1.701  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7