REMARK  Name = BDB015836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.227   0.361  -1.918  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.523   0.371  -0.717  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.906  -0.424   0.498  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        0.639   1.246  -0.769  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.723   1.869  -2.002  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1       -0.518   1.414  -3.073  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.583   1.476   0.336  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.825   1.933  -0.040  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.089   1.906  -1.017  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.291   1.255   1.508  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.914   2.062   0.901  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.742   0.809   0.879  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.583   0.645  -0.354  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.535   1.448  -1.282  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.399  -0.456  -0.403  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.955  -0.548  -1.243  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.472  -1.412   0.579  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.408  -2.557   0.349  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.710  -1.278   1.674  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.819  -0.137   1.842  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        4.040  -0.143   3.129  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  C   LIG    1       -1.100  -2.531  -2.629  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.323  -1.665  -2.593  0.00  0.00    -0.026 C 
ATOM     24  C   LIG    1       -2.421  -0.353  -2.279  0.00  0.00    -0.036 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.785   0.327  -2.347  0.00  0.00    +0.051 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.247   0.964  -1.019  0.00  0.00    +0.089 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.436   0.021   0.096  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1       -4.718   0.721   1.367  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1       -6.210   0.739   1.735  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -6.777  -0.572   1.870  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -6.086  -1.564   1.098  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -5.478  -0.988  -0.190  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7