REMARK  Name = BDB040879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.720   0.661   0.340  0.00  0.00    -0.250 N 
ATOM      2  C   LIG    1       -2.346   0.767   0.340  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1       -1.516   1.870   0.574  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1       -0.132   1.685   0.372  0.00  0.00    +0.242 C 
ATOM      5  C   LIG    1        0.321   0.448  -0.446  0.00  0.00    +0.172 C 
ATOM      6  C   LIG    1       -0.442  -0.834  -0.064  0.00  0.00    +0.083 C 
ATOM      7  O   LIG    1        0.708   2.515   0.746  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -1.884  -0.512   0.093  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.028  -1.335   0.048  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -3.103  -2.803  -0.151  0.00  0.00    +0.068 C 
ATOM     11  N   LIG    1       -4.140  -0.621   0.243  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.013  -1.516   1.224  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1       -0.142  -0.948   2.502  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.324  -1.610   3.640  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        0.955  -2.840   3.510  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        1.405  -3.470   4.604  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        1.132  -3.421   2.263  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        0.665  -2.761   1.125  0.00  0.00    +0.007 A 
ENDBRANCH   6  12
BRANCH   5  19
ATOM     19  N   LIG    1        1.778   0.330  -0.355  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        2.252   1.081   0.138  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        2.489  -0.515  -1.172  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        1.954  -1.251  -1.994  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.970  -0.484  -1.030  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.753  -0.850  -2.134  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        6.152  -0.836  -2.051  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        6.985  -1.255  -3.227  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        6.759  -0.484  -0.840  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.983  -0.135   0.267  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.590  -0.136   0.176  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH   5  19
BRANCH   3  30
ATOM     30  C   LIG    1       -1.923   3.121   1.207  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -1.982   4.273   0.215  0.00  0.00    +0.025 C 
ENDBRANCH   3  30
BRANCH   1  32
ATOM     32  C   LIG    1       -4.734   1.699   0.385  0.00  0.00    +0.145 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -5.612   1.508  -1.996  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -5.957   1.473  -0.513  0.00  0.00    +0.020 C 
ENDBRANCH  32  34
ENDBRANCH   1  32
TORSDOF 6