REMARK  Name = BDB049073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.989   0.329  -0.871  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -1.256   1.851  -0.970  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -2.804   1.933  -1.049  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.308   0.585  -0.748  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.221  -0.142  -0.088  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        2.788  -0.843   0.869  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        1.912  -0.057   1.633  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1        2.264   0.373   3.029  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        0.687   0.324   1.063  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.330  -0.073  -0.238  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        1.222  -0.874  -0.968  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.442  -1.264  -0.417  0.00  0.00    +0.013 A 
BRANCH   6  14
ATOM     13  N   LIG    1        5.225  -0.514   1.097  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        4.093  -1.270   1.411  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1        4.113  -2.276   2.116  0.00  0.00    -0.270 OA
BRANCH  13  17
ATOM     16  C   LIG    1        5.680   0.467  -1.147  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        5.211   0.704   0.278  0.00  0.00    +0.104 C 
ENDBRANCH  13  17
BRANCH  13  18
ATOM     18  C   LIG    1        6.516  -0.991   1.592  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        7.063  -2.161   0.788  0.00  0.00    +0.024 C 
ENDBRANCH  13  18
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  N   LIG    1       -0.462   2.610  -1.960  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1       -0.740   4.045  -1.882  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1       -0.615   2.140  -3.336  0.00  0.00    +0.104 C 
ENDBRANCH   2  20
BRANCH   4  23
ATOM     23  C   LIG    1       -4.575   0.595  -0.016  0.00  0.00    +0.122 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.253  -0.758   0.016  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.853  -1.228  -1.164  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1       -5.847  -0.467  -2.269  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -6.481  -2.468  -1.226  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.524  -3.272  -0.095  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.944  -2.826   1.094  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.309  -1.573   1.169  0.00  0.00    -0.043 A 
ATOM     31  C   LIG    1       -4.717  -1.145   2.484  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7