REMARK  Name = BDB053262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.754  -0.758   0.412  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.600  -0.818   1.104  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.036  -2.009   1.245  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        0.459  -3.192   0.694  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        1.650  -3.129  -0.049  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        2.238  -4.346  -0.711  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        2.289  -1.890  -0.189  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.325   0.513   0.324  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        1.664   1.193   0.694  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1        6.501   2.995  -0.739  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.485   1.980  -0.375  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1        5.855   0.723  -0.100  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1        4.699   0.108   0.201  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        4.741  -0.851   0.521  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1        3.593   0.905   0.071  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        4.085   2.147  -0.261  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  C   LIG    1       -0.230  -4.440   0.858  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -0.755  -5.470   0.959  0.00  0.00    -0.191 NA
ENDBRANCH   4  17
BRANCH   3  19
ATOM     19  S   LIG    1       -1.542  -1.982   2.222  0.00  0.00    -0.105 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.004  -0.217   2.153  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.565   0.166   0.783  0.00  0.00    +0.011 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.977   1.643   0.757  0.00  0.00    +0.001 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.552   2.081  -0.594  0.00  0.00    +0.002 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.080   2.069  -0.672  0.00  0.00    +0.028 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.713   0.695  -0.523  0.00  0.00    +0.156 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -7.111   0.810  -0.760  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1       -7.491  -0.080  -0.663  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 11