REMARK  Name = BDB002466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.884   2.809   0.057  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        1.144   1.675   0.449  0.00  0.00    +0.278 A 
ATOM      3  N   LIG    1        0.276   0.872   1.175  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        0.623  -0.428   1.518  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.752  -1.029   1.292  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        2.677  -0.243   0.603  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        3.994  -0.578   0.202  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        4.482   0.560  -0.466  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        5.770   0.620  -1.019  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        6.592  -0.505  -0.895  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        6.146  -1.650  -0.241  0.00  0.00    +0.021 A 
ATOM     12  N   LIG    1        3.485   1.516  -0.452  0.00  0.00    -0.349 N 
ATOM     13  H   LIG    1        3.549   2.439  -0.861  0.00  0.00    +0.166 HD
ATOM     14  C   LIG    1        4.859  -1.685   0.301  0.00  0.00    +0.052 A 
ATOM     15 CL   LIG    1        4.284  -3.076   1.111  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        2.390   1.030   0.201  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   3  17
ATOM     17  C   LIG    1       -1.059   1.373   1.477  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.046   1.165   0.309  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.274  -0.255  -0.020  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -3.146  -0.954   0.939  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -4.625  -0.570   0.843  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -5.148  -0.713  -0.582  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.237   0.005  -1.571  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -2.780  -0.427  -1.391  0.00  0.00    +0.084 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 3