REMARK  Name = BDB021355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.906  -0.234   0.403  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.308  -0.879  -0.713  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.067  -1.011  -0.693  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.429  -1.616  -1.875  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.245  -1.840  -2.541  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.863  -0.573   0.387  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.291   0.003   1.411  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.828  -1.392  -1.812  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.077   0.168   1.389  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.126   0.514   0.780  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        4.354   1.276  -0.111  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.977   1.049  -0.251  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        2.351   0.051   0.518  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.123  -0.704   1.416  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.495  -0.473   1.547  0.00  0.00    +0.005 A 
BRANCH  12  16
ATOM     16  C   LIG    1        2.234   1.866  -1.170  0.00  0.00    +0.100 C 
ATOM     17  N   LIG    1        1.627   2.546  -1.889  0.00  0.00    -0.191 NA
ENDBRANCH  12  16
BRANCH  10  18
ATOM     18  C   LIG    1        6.612   0.774   0.928  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.691   1.279  -0.175  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        7.336   0.753  -0.354  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1        7.400  -0.601  -0.913  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  22
ATOM     22  C   LIG    1       -0.079  -2.457  -3.822  0.00  0.00    +0.121 C 
ATOM     23  N   LIG    1        0.015  -2.972  -4.859  0.00  0.00    -0.189 NA
ENDBRANCH   5  22
BRANCH   6  24
ATOM     24  N   LIG    1       -3.225  -0.766   0.323  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.568  -1.499  -0.287  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.075  -0.535   1.477  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.513  -0.532   1.044  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.056   0.496   0.280  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.412   1.704  -0.292  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.663   2.471  -0.721  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.754   1.537  -0.893  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.382   0.460  -0.132  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.224  -0.586   0.188  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.705  -1.625   0.960  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -6.367  -1.591   1.378  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -5.900  -2.617   2.103  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 8