REMARK  Name = BDB020489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.684  -0.973  -0.394  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.554  -1.710   0.379  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.512  -3.033   1.027  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.846  -3.618   0.996  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.983  -2.859   1.257  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.835  -1.335   1.264  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -3.783  -0.836   2.705  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -5.077  -3.369   1.509  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.929  -5.063   1.108  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.662  -0.913   0.516  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.439   0.262  -0.156  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.236   0.249  -0.698  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  22
ATOM     13  C   LIG    1        4.023   1.013   0.078  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        2.813   1.424   0.523  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1        1.738   0.657   0.214  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        1.779  -0.539  -0.518  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.060  -0.940  -0.964  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        3.199  -2.125  -1.705  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        2.089  -2.910  -2.006  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        0.830  -2.521  -1.566  0.00  0.00    +0.133 A 
ATOM     21  F   LIG    1       -0.214  -3.303  -1.882  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        0.650  -1.351  -0.820  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.184  -0.153  -0.663  0.00  0.00    +0.055 A 
BRANCH  13  28
ATOM     24  C   LIG    1        8.595   3.020   0.600  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1        7.149   2.710   0.635  0.00  0.00    +0.056 A 
ATOM     26  N   LIG    1        6.277   3.541   1.288  0.00  0.00    -0.241 NA
ATOM     27  C   LIG    1        5.092   2.993   1.130  0.00  0.00    +0.205 A 
ATOM     28  N   LIG    1        5.144   1.826   0.401  0.00  0.00    -0.290 N 
ATOM     29  C   LIG    1        6.472   1.644   0.080  0.00  0.00    +0.117 A 
ENDBRANCH  13  28
ENDBRANCH   1  22
BRANCH  11  30
ATOM     30  C   LIG    1       -3.429   1.390  -0.268  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -2.731   2.757  -0.161  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -2.470   3.334  -1.545  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -3.683   3.570  -2.264  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.727   2.627  -2.027  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -4.217   1.265  -1.582  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3