REMARK  Name = BDB020601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.426  -2.011   0.936  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.649  -1.077   1.309  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        0.234   0.340   1.622  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        1.926  -1.550   1.393  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        2.142  -2.938   1.162  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        1.117  -3.832   0.852  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.642  -5.098   0.706  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.030  -5.002   0.923  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.309  -3.683   1.197  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -0.201  -3.323   0.739  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.006  -0.692  -0.286  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -1.205  -0.449  -0.855  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -1.845  -1.597   0.731  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -2.759  -2.067   1.397  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -3.310  -0.229  -0.705  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -3.426   5.574  -1.064  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -3.408   4.090  -0.875  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -3.038   3.325  -1.952  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -2.791   3.769  -2.827  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -2.962   1.955  -1.941  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -2.586   1.333  -2.931  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -3.334   1.270  -0.662  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -3.700   2.031   0.394  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -4.094   1.502   1.746  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -3.728   3.482   0.277  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        3.114  -0.646   1.709  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        3.603  -0.847   3.145  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1        4.214  -0.890   0.823  0.00  0.00    -0.365 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.282   0.024  -0.282  0.00  0.00    +0.217 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.191  -0.141  -1.292  0.00  0.00    +0.089 A 
ATOM     31  N   LIG    1        2.390   0.888  -1.612  0.00  0.00    -0.174 NA
ATOM     32  N   LIG    1        1.574   0.383  -2.557  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        0.588   1.237  -3.175  0.00  0.00    +0.172 C 
ATOM     34  C   LIG    1        1.798  -0.934  -2.821  0.00  0.00    +0.108 A 
ATOM     35  C   LIG    1        2.853  -1.307  -2.022  0.00  0.00    +0.046 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7