REMARK  Name = BDB017419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.439  -1.948  -0.662  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -1.435  -2.477  -1.458  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -1.209  -2.687  -2.422  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.468  -1.970   0.562  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.064  -0.737  -1.361  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        1.964  -1.307  -0.719  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        0.722  -1.347  -1.357  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1        0.622  -0.781  -2.619  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        1.665  -0.226  -3.278  0.00  0.00    -0.259 NA
ATOM     10  C   LIG    1        2.860  -0.218  -2.633  0.00  0.00    +0.156 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.224  -0.760  -0.647  0.00  0.00    -0.487 OA
BRANCH  11  17
ATOM     12  C   LIG    1        8.880   1.375   2.401  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        8.336   2.005   1.144  0.00  0.00    +0.212 C 
ATOM     14  N   LIG    1        7.428   1.258   0.405  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        7.046  -0.120   0.719  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        6.606  -0.877  -0.528  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1        5.415  -0.194  -1.217  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1        5.413   1.327  -1.010  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.814   1.872  -0.769  0.00  0.00    +0.111 C 
ATOM     20  O   LIG    1        8.700   3.130   0.805  0.00  0.00    -0.276 OA
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1       -2.527  -3.252  -0.887  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.428  -2.517   0.118  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -4.555  -3.359   0.417  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -5.227  -2.742   0.778  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.962  -1.176  -0.432  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.012  -0.605   0.447  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.753   0.445  -0.286  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.745   1.202   0.569  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.617   1.230   1.968  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.529   1.965   2.738  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.548   2.690   2.120  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.666   2.681   0.733  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.540   0.418   2.640  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.768   1.944  -0.040  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.432  -0.014   1.669  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8