REMARK  Name = BDB046071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.882   0.241  -0.203  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.972  -0.203   0.544  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.905  -0.971   1.781  0.00  0.00    +0.273 A 
ATOM      4  N   LIG    1       -3.101  -1.444   2.289  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1       -2.916  -2.005   3.118  0.00  0.00    +0.190 HD
ATOM      6  N   LIG    1       -4.212  -0.573   2.444  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1       -4.747  -0.766   3.289  0.00  0.00    +0.190 HD
ATOM      8  C   LIG    1       -5.077  -0.359   1.389  0.00  0.00    +0.271 A 
ATOM      9  C   LIG    1       -4.543   0.061   0.076  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -5.456   0.466  -0.915  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -5.000   0.998  -2.111  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.889   1.385  -3.035  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.643   1.166  -2.368  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.747   0.749  -1.378  0.00  0.00    +0.051 A 
ATOM     15  O   LIG    1       -6.290  -0.402   1.586  0.00  0.00    -0.266 OA
ATOM     16  O   LIG    1       -0.859  -1.309   2.331  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.156   0.174  -0.172  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1       -1.377   0.806  -1.354  0.00  0.00    -0.353 N 
ATOM     19  H   LIG    1       -0.801   1.176  -2.098  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  23
ATOM     20  C   LIG    1        3.353  -0.016   0.337  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        2.589  -1.174   0.131  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.204  -1.094  -0.031  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        0.559   0.146   0.004  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        1.319   1.305   0.199  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.705   1.226   0.363  0.00  0.00    +0.005 A 
BRANCH  20  26
ATOM     26  C   LIG    1        4.850  -0.113   0.511  0.00  0.00    +0.116 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.952  -0.399  -0.621  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        5.505  -0.360  -0.772  0.00  0.00    -0.315 NA
ATOM     29  H   LIG    1        5.248   0.383  -1.420  0.00  0.00    +0.122 HD
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 3