REMARK  Name = BDB016323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.853  -2.335   1.378  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.007  -1.166   0.402  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.797  -0.370   0.450  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.288  -0.384   1.343  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.600   0.821  -0.252  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.535   1.418  -1.126  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.143   2.505  -1.937  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.864   3.052  -1.867  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.942   2.510  -0.987  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.895   1.070  -1.267  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.415   1.520  -2.010  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.721   0.329  -0.481  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.911   0.239  -0.796  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.298   1.398  -0.207  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -5.205  -0.319   0.765  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.261   0.830   0.704  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        0.962   0.593   0.099  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.997   0.717  -0.905  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -0.570   0.600   1.867  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.137   0.102   0.706  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        3.235  -0.152  -0.133  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.448  -0.637   0.387  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.552  -0.864   1.765  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.463  -0.609   2.600  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        2.263  -0.128   2.074  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  N   LIG    1        5.556  -0.894  -0.475  0.00  0.00    -0.306 N 
ATOM     27  C   LIG    1        6.806  -1.359  -0.119  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1        7.615  -1.491  -1.147  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1        6.879  -1.102  -2.227  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1        5.612  -0.730  -1.844  0.00  0.00    +0.112 A 
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3