REMARK  Name = BDB036501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.976  -1.054  -0.565  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        3.417   0.120   0.107  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.545   1.210   0.244  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.270   1.072  -0.297  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.812  -0.055  -0.951  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.523   0.276  -1.306  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -0.842   1.508  -0.900  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.283   2.006  -0.268  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.678  -1.154  -1.095  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.567  -3.239  -1.347  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.921  -2.058  -0.638  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.739   0.130   0.613  0.00  0.00    -0.279 N 
ATOM     13  H   LIG    1        5.214  -0.745   0.409  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.472   1.034   1.280  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1        6.738   0.822   1.658  0.00  0.00    -0.136 NA
ATOM     16  N   LIG    1        7.046   1.973   2.270  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        7.971   2.096   2.664  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1        5.997   2.830   2.256  0.00  0.00    +0.217 A 
ATOM     19  N   LIG    1        4.989   2.265   1.639  0.00  0.00    -0.202 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.388  -0.581  -1.973  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -1.145  -1.562  -2.066  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.032  -0.306  -2.142  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -3.589  -1.565  -2.606  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.183   0.893  -2.938  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.620  -0.067  -0.490  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.431   1.020  -0.152  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -4.866   1.185   1.170  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.469   0.289   2.160  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.667  -0.800   1.828  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -3.269  -0.996   0.501  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -4.923   1.876  -1.097  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.298   3.159  -1.011  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -2.483  -2.082   0.202  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.235  -3.296   0.299  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8