REMARK  Name = BDB036465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.418  -0.527  -1.173  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        3.745   0.176   0.020  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.769   0.355   1.011  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.508  -0.177   0.758  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        1.158  -0.862  -0.388  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.207  -1.195  -0.182  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -0.648  -0.735   0.992  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.430  -0.100   1.582  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        2.130  -1.047  -1.389  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.254  -1.471  -3.207  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        4.451  -0.627  -2.080  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        5.077   0.633   0.174  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        5.539   0.697  -0.732  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.818   1.060   1.215  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1        6.953   1.743   1.040  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1        7.407   1.966   2.282  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1        8.268   2.491   2.391  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1        6.626   1.417   3.252  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        5.588   0.807   2.587  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -0.995  -1.871  -1.101  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -0.630  -2.153  -2.004  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.528  -2.461  -0.775  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1       -2.432  -3.268   0.420  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -2.970  -3.038  -2.030  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.504  -1.005  -0.515  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -4.405  -0.903   0.539  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1       -5.155   0.268   0.695  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1       -4.992   1.357  -0.176  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -5.819   2.597   0.035  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -4.080   1.255  -1.244  0.00  0.00    -0.045 A 
ATOM     31  C   LIG    1       -3.879   2.386  -2.216  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -3.347   0.068  -1.407  0.00  0.00    +0.036 A 
BRANCH  26  33
ATOM     33  O   LIG    1       -4.665  -1.955   1.371  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -4.094  -1.739   2.663  0.00  0.00    +0.277 C 
ENDBRANCH  26  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7