REMARK  Name = BDB051269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.374   0.357   1.681  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1        2.387  -0.135   0.882  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        2.429  -1.147  -0.056  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        1.635  -1.755  -0.223  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        3.599  -1.449  -0.728  0.00  0.00    +0.259 A 
ATOM      6  C   LIG    1        4.807  -0.632  -0.413  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        4.752   0.379   0.556  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1        5.880   1.139   0.872  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        7.078   0.883   0.203  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        7.144  -0.122  -0.766  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.012  -0.881  -1.076  0.00  0.00    +0.015 A 
ATOM     12  O   LIG    1        3.637  -2.357  -1.551  0.00  0.00    -0.267 OA
ATOM     13  N   LIG    1        3.519   0.589   1.191  0.00  0.00    -0.215 N 
ATOM     14  N   LIG    1        3.311   1.498   2.164  0.00  0.00    -0.172 NA
ATOM     15  C   LIG    1        2.022   1.333   2.476  0.00  0.00    +0.150 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -0.693   0.165   2.758  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -0.023  -0.019   1.750  0.00  0.00    +0.249 C 
ATOM     18  N   LIG    1       -0.538  -0.539   0.581  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -0.013  -0.393  -0.270  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.947  -0.876   0.458  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.838   0.368   0.263  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.262   0.050   0.060  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1       -4.495  -0.708  -1.190  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -5.919  -0.509  -1.732  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -6.174   0.851  -2.109  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -5.464   1.801  -1.302  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -5.104   1.267   0.094  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4