REMARK  Name = BDB012147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.136  -0.598  -0.336  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.235  -0.853  -0.296  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        2.119  -0.457   0.852  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.697  -1.518  -1.504  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.673  -1.630  -2.425  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1       -0.817  -1.063  -1.840  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.041  -2.000  -1.830  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.705  -2.584  -0.781  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.253  -2.665   0.120  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.508  -1.924  -2.962  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.074  -3.030  -0.869  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.971  -1.970  -0.300  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.927  -1.856   1.197  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.164  -2.535   1.879  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.769  -0.938   1.770  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.725  -0.879   2.780  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.613  -0.115   1.069  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        8.451   0.840   1.860  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.643  -0.201  -0.269  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.805  -1.155  -0.984  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        6.962  -1.120  -2.479  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  C   LIG    1       -1.899  -0.368   3.028  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -1.181  -0.751   1.774  0.00  0.00    -0.026 C 
ATOM     24  C   LIG    1       -0.977   0.005   0.671  0.00  0.00    -0.038 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.514   1.423   0.530  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.043   1.594   0.496  0.00  0.00    +0.020 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.721   0.860  -0.668  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.169   1.039  -0.784  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1       -5.624   2.419  -0.938  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1       -7.133   2.511  -1.298  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       -7.973   1.410  -0.786  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1       -9.357   1.826  -0.604  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -7.398   0.838   0.435  0.00  0.00    +0.099 C 
ATOM     34  C   LIG    1       -5.953   0.308   0.224  0.00  0.00    +0.100 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8