REMARK  Name = BDB055145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.886   0.815   0.373  0.00  0.00    +0.186 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.205   0.002  -0.695  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -0.476   0.427   0.429  0.00  0.00    -0.301 N 
ATOM      4  H   LIG    1        0.092   0.805   1.180  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1       -0.330  -0.083  -1.794  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1        1.706  -0.258  -0.426  0.00  0.00    +0.159 C 
BRANCH   6   9
ATOM      7  C   LIG    1        2.825  -1.782   2.883  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        2.889  -0.904   1.663  0.00  0.00    +0.211 C 
ATOM      9  N   LIG    1        1.789  -0.986   0.847  0.00  0.00    -0.304 N 
ATOM     10  H   LIG    1        1.066  -1.670   1.043  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        3.850  -0.179   1.430  0.00  0.00    -0.276 OA
ENDBRANCH   6   9
BRANCH   6  12
ATOM     12  C   LIG    1        2.396  -1.044  -1.554  0.00  0.00    +0.034 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.170  -0.154  -2.551  0.00  0.00    -0.015 C 
ATOM     14  C   LIG    1        3.923  -1.034  -3.553  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        2.273   0.829  -3.303  0.00  0.00    +0.007 C 
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.980   2.309   0.064  0.00  0.00    +0.328 C 
ATOM     17  O   LIG    1       -1.113   3.132   0.336  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.186   2.608  -0.498  0.00  0.00    -0.452 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.327   3.977  -0.882  0.00  0.00    +0.352 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.459   4.422  -2.051  0.00  0.00    +0.343 C 
ATOM     21  O   LIG    1       -2.225   5.579  -2.365  0.00  0.00    -0.247 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -1.989   3.401  -2.794  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1       -1.440   3.824  -3.487  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -2.593   0.546   1.709  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.463  -0.887   2.176  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -3.072  -1.928   1.463  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.928  -3.251   1.884  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.179  -3.546   3.021  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.574  -2.518   3.741  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.715  -1.194   3.321  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 12