REMARK  Name = BDB007537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.044   1.514   0.325  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.930   0.296   0.273  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.282  -0.362   0.359  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.317  -1.300  -0.021  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.131  -0.563   0.072  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.243  -0.010  -0.578  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -4.400  -0.773  -0.790  0.00  0.00    -0.046 A 
ATOM      8  C   LIG    1       -4.429  -2.100  -0.342  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.329  -2.650   0.320  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.182  -1.884   0.532  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.598  -0.174  -1.490  0.00  0.00    +0.038 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.304   0.943  -0.685  0.00  0.00    -0.002 C 
ATOM     13  C   LIG    1       -7.451   1.561  -1.510  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1       -8.821   0.986  -1.149  0.00  0.00    +0.160 C 
ATOM     15  O   LIG    1       -8.702  -0.379  -0.766  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -8.011  -0.540   0.474  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1       -6.863   0.453   0.657  0.00  0.00    +0.032 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.535   0.392   0.347  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.657  -0.420   1.009  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.280  -0.739   2.360  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.304  -0.730   2.382  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.995   0.348   1.042  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.519   0.734  -0.282  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.665   1.658  -0.152  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.978   1.003   0.223  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        7.201  -0.365  -0.021  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        8.438  -0.937   0.303  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        9.457  -0.153   0.844  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.246   1.205   1.070  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.093  -1.228  -0.569  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.014   1.782   0.758  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.921  -0.405  -1.124  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8