REMARK  Name = BDB014415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199   1.401  -2.163  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.127   1.339  -1.357  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.883   0.734  -1.460  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.839  -0.273  -1.363  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        2.338   2.481  -1.752  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      6  C   LIG    1        3.180   0.447  -0.691  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        4.461   1.055  -0.714  0.00  0.00    -0.483 OA
BRANCH   7  12
ATOM      8  C   LIG    1        9.021  -1.499   1.501  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.801  -0.865   0.901  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        7.881   0.391   0.293  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        6.736   0.992  -0.236  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.495   0.356  -0.157  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.408  -0.890   0.464  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        6.554  -1.494   0.994  0.00  0.00    +0.007 A 
ENDBRANCH   7  12
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -1.580   0.789  -1.873  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.516   1.288  -2.838  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -2.243   0.956  -3.711  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -2.060   1.150  -0.445  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.109   0.251   0.095  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -4.347   0.313  -0.713  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -5.534  -0.393  -0.084  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.553  -0.705   1.286  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.672  -1.339   1.843  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.779  -1.637   1.049  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.774  -1.310  -0.305  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.345  -0.411   2.136  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -6.659  -0.689  -0.868  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.416   0.622   1.488  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8