REMARK  Name = BDB048125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.485  -0.525   1.369  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.794  -0.542   0.854  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.356   0.598   0.407  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -2.607   0.501  -0.099  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -3.322  -0.690  -0.204  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.695  -1.853   0.253  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.413  -1.778   0.790  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.708  -0.727  -0.800  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.800  -0.013   0.021  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -5.583   1.409  -0.074  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -6.848   2.082  -0.142  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -7.927   1.022  -0.121  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -7.189  -0.207  -0.596  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.817  -0.503   1.494  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -5.726   0.230   2.470  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.002  -1.840   1.644  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -6.099  -2.353   0.823  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.014   0.785   1.613  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.658   1.394   0.366  0.00  0.00    +0.100 C 
BRANCH  19  22
ATOM     20  C   LIG    1        2.140  -1.306  -1.587  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        3.056  -0.425  -0.844  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.901   0.680  -0.035  0.00  0.00    +0.086 A 
ATOM     23  N   LIG    1        4.136   1.101   0.409  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        4.984   0.247  -0.134  0.00  0.00    +0.228 A 
ATOM     25  O   LIG    1        4.390  -0.712  -0.912  0.00  0.00    -0.440 OA
BRANCH  24  26
ATOM     26  C   LIG    1        6.439   0.195  -0.015  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.204  -0.789  -0.661  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        8.597  -0.816  -0.529  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        9.247   0.144   0.253  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        8.498   1.129   0.902  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        7.105   1.152   0.767  0.00  0.00    +0.014 A 
BRANCH  29  32
ATOM     32  C   LIG    1       10.674   0.117   0.388  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       11.830   0.093   0.496  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10