REMARK  Name = BDB049892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.593   0.037   1.688  0.00  0.00    +0.217 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -0.737   0.453   1.166  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.647   0.926   2.063  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        0.353  -0.350   0.866  0.00  0.00    +0.244 C 
ATOM      5  O   LIG    1        0.309  -1.281   0.071  0.00  0.00    -0.273 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -2.096   0.084   0.756  0.00  0.00    +0.182 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.527  -1.151   1.577  0.00  0.00    +0.327 C 
ATOM      8  O   LIG    1       -1.987  -1.502   2.624  0.00  0.00    -0.249 OA
BRANCH   7  10
ATOM      9  C   LIG    1       -4.087  -2.889   1.768  0.00  0.00    +0.280 C 
ATOM     10  O   LIG    1       -3.630  -1.745   1.044  0.00  0.00    -0.467 OA
ENDBRANCH   7  10
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1       -2.226  -0.086  -0.770  0.00  0.00    +0.036 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.589   0.361  -1.341  0.00  0.00    -0.015 C 
ATOM     13  C   LIG    1       -3.737  -0.141  -2.781  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -3.750   1.883  -1.315  0.00  0.00    +0.007 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  O   LIG    1        1.172   0.088   3.074  0.00  0.00    -0.381 OA
ATOM     16  H   LIG    1        0.816  -0.796   3.288  0.00  0.00    +0.210 HD
ENDBRANCH   1  15
BRANCH   1  17
ATOM     17  C   LIG    1        2.771  -0.956   1.540  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.839  -0.625   2.518  0.00  0.00    -0.324 NA
ATOM     19  H   LIG    1        3.394  -0.376   3.405  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1        4.412  -1.449   2.691  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
BRANCH  17  21
ATOM     21  C   LIG    1        3.355  -1.069   0.112  0.00  0.00    +0.056 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.571   0.235  -0.621  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        4.594   1.113  -0.240  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.780   2.321  -0.913  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.946   2.664  -1.976  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        2.926   1.798  -2.366  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.740   0.590  -1.694  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 11