REMARK  Name = BDB049230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.995   0.011  -0.633  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.002   1.160  -0.379  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.357   0.420  -0.197  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.045  -1.015  -0.188  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -1.629  -1.137   0.164  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.178   0.864   0.377  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.179   0.833   1.364  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        0.838   0.565   1.060  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.441   0.311  -0.256  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        1.423   0.350  -1.251  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.763   0.623  -0.938  0.00  0.00    +0.023 A 
BRANCH   6  17
ATOM     12  C   LIG    1        8.707  -1.380  -0.904  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        8.223  -0.990   0.471  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1        7.122  -0.157   0.531  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        6.573   0.223   1.839  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1        5.034   0.289   1.832  0.00  0.00    +0.124 C 
ATOM     17  N   LIG    1        4.502   1.138   0.734  0.00  0.00    -0.327 N 
ATOM     18  C   LIG    1        5.486   1.555  -0.281  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1        6.439   0.404  -0.643  0.00  0.00    +0.126 C 
ATOM     20  O   LIG    1        8.804  -1.401   1.475  0.00  0.00    -0.276 OA
ENDBRANCH   6  17
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -1.954   2.309  -1.309  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -2.849   3.383  -0.877  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -2.217   1.961  -2.704  0.00  0.00    +0.104 C 
ENDBRANCH   2  21
BRANCH   4  24
ATOM     24  C   LIG    1       -3.918  -1.833   0.653  0.00  0.00    +0.122 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.340  -1.914   0.135  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.573  -2.609  -1.063  0.00  0.00    +0.128 A 
ATOM     27  F   LIG    1       -4.557  -3.208  -1.702  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -6.846  -2.717  -1.614  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.926  -2.131  -0.967  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.726  -1.448   0.233  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.442  -1.334   0.801  0.00  0.00    -0.043 A 
ATOM     32  C   LIG    1       -6.300  -0.609   2.111  0.00  0.00    +0.044 C 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 5