REMARK  Name = BDB056976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540  -0.343  -0.313  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.034   0.964  -0.361  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.287   1.252   0.004  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        2.122   0.195   0.402  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.647  -1.116   0.468  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.319  -1.373   0.104  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.797   2.622  -0.056  0.00  0.00    +0.089 A 
ATOM      8  C   LIG    1        1.523   3.619  -1.110  0.00  0.00    +0.290 A 
ATOM      9  O   LIG    1        0.707   3.491  -2.010  0.00  0.00    -0.264 OA
ATOM     10  N   LIG    1        2.321   4.726  -0.865  0.00  0.00    -0.174 N 
ATOM     11  C   LIG    1        1.828   6.051  -1.151  0.00  0.00    +0.195 C 
ATOM     12  O   LIG    1        2.828   4.622   0.458  0.00  0.00    -0.379 OA
ATOM     13  C   LIG    1        2.527   3.317   0.823  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        3.030   2.903   2.164  0.00  0.00    +0.090 C 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1       -3.040  -0.094  -0.036  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1       -1.929  -0.636  -0.708  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -2.175  -1.489  -1.800  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -3.481  -1.806  -2.205  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -4.567  -1.273  -1.506  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -4.345  -0.426  -0.419  0.00  0.00    +0.047 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.660  -2.731  -3.362  0.00  0.00    +0.160 C 
ATOM     22  O   LIG    1       -2.701  -3.373  -3.785  0.00  0.00    -0.292 OA
ATOM     23  C   LIG    1       -5.027  -2.869  -3.981  0.00  0.00    +0.091 C 
ENDBRANCH  18  21
BRANCH  15  24
ATOM     24  O   LIG    1       -2.840   0.681   1.078  0.00  0.00    -0.492 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -4.236   2.332   2.113  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -3.338   2.016   0.931  0.00  0.00    +0.226 C 
ENDBRANCH  24  26
ENDBRANCH  15  24
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  N   LIG    1        2.426  -2.224   0.868  0.00  0.00    -0.279 N 
ATOM     28  H   LIG    1        1.962  -3.119   0.823  0.00  0.00    +0.155 HD
ATOM     29  C   LIG    1        3.722  -2.219   1.370  0.00  0.00    +0.284 C 
ATOM     30  O   LIG    1        4.370  -1.199   1.589  0.00  0.00    -0.266 OA
BRANCH  29  31
ATOM     31  C   LIG    1        4.255  -3.549   1.643  0.00  0.00    +0.189 A 
ATOM     32  O   LIG    1        5.470  -3.630   2.278  0.00  0.00    -0.458 OA
ATOM     33  C   LIG    1        5.773  -4.942   2.428  0.00  0.00    +0.196 A 
ATOM     34  C   LIG    1        4.779  -5.728   1.900  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        3.801  -4.835   1.392  0.00  0.00    +0.054 A 
ENDBRANCH  29  31
ENDBRANCH   5  27
TORSDOF 7