REMARK  Name = BDB062864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.233  -0.740   0.573  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.487  -0.140   1.349  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.745  -0.318  -0.301  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.038  -0.891  -1.341  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.424   0.932   0.088  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.796   1.007   0.289  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.879   0.034   0.250  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -5.090   0.678   0.562  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.793   2.100   0.817  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1       -5.583   2.966   1.124  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1       -6.314   0.039   0.619  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -6.328  -1.327   0.346  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.135  -2.002   0.033  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.905  -1.326  -0.014  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.337   2.260   0.638  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -2.592   3.418   0.791  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.219   3.326   0.583  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -0.638   2.095   0.234  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.149  -1.809   0.220  0.00  0.00    +0.113 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.339  -1.306  -0.629  0.00  0.00    +0.047 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.135  -0.215   0.085  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        3.612  -0.371   1.396  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.331   0.652   2.018  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.590   1.839   1.336  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.136   2.002   0.030  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.416   0.982  -0.592  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1        3.247  -2.485  -1.018  0.00  0.00    +0.130 C 
BRANCH  27  29
ATOM     28  O   LIG    1        3.958  -1.307  -3.021  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1        4.187  -2.130  -2.149  0.00  0.00    +0.305 C 
BRANCH  29  30
ATOM     30  O   LIG    1        5.318  -2.874  -2.147  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        5.383  -3.510  -1.411  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7