REMARK  Name = BDB036481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.344  -0.680   0.520  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.581  -1.538   1.360  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1        0.254  -1.882   1.048  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.313  -1.357  -0.128  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.454  -0.530  -0.924  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -0.278  -0.137  -1.999  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.542  -0.698  -1.927  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -1.558  -1.424  -0.807  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.769  -0.164  -0.650  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.671  -0.384   0.915  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        3.907  -0.856   1.783  0.00  0.00    +0.155 HD
BRANCH  10  14
ATOM     12  N   LIG    1        6.484   1.309   0.087  0.00  0.00    -0.250 N 
ATOM     13  N   LIG    1        5.861   0.490   0.949  0.00  0.00    -0.134 NA
ATOM     14  C   LIG    1        4.653   0.363   0.388  0.00  0.00    +0.239 A 
ATOM     15  N   LIG    1        4.506   1.068  -0.777  0.00  0.00    -0.202 NA
ATOM     16  C   LIG    1        5.670   1.649  -0.942  0.00  0.00    +0.221 A 
BRANCH  12  18
ATOM     17  C   LIG    1        7.960   2.879   1.275  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        7.853   1.715   0.306  0.00  0.00    +0.142 C 
ENDBRANCH  12  18
ENDBRANCH  10  14
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        2.252  -1.984   2.480  0.00  0.00    -0.493 OA
ATOM     20  C   LIG    1        1.569  -2.893   3.335  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
BRANCH   8  21
ATOM     21  N   LIG    1       -2.657  -2.142  -0.351  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -2.661  -2.498   0.599  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -4.199  -1.997  -0.991  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.076  -2.658  -0.040  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.136  -2.457  -2.362  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.562  -0.267  -0.902  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -5.061   0.434  -2.003  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.324   1.806  -1.899  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -5.061   2.487  -0.712  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.571   1.792   0.390  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.351   0.413   0.307  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.421  -0.200  -3.159  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.508   0.094  -4.218  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -3.873  -0.247   1.413  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.877  -0.329   2.430  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 9