REMARK  Name = BDB007824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.553   0.464   0.703  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.952  -0.732   0.562  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.377  -0.745   0.316  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -0.880  -2.003   0.128  0.00  0.00    -0.459 OA
ATOM      5  C   LIG    1       -1.992  -2.024  -0.760  0.00  0.00    +0.188 C 
ATOM      6  C   LIG    1       -1.543  -1.822  -2.233  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -1.822  -3.140  -2.952  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -2.951  -3.768  -2.159  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -3.089  -0.994  -0.400  0.00  0.00    +0.268 C 
ATOM     10  N   LIG    1       -2.585   0.253   0.004  0.00  0.00    -0.232 N 
ATOM     11  O   LIG    1       -4.286  -1.258  -0.522  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -2.560  -3.459  -0.724  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -1.183   0.391   0.240  0.00  0.00    +0.103 A 
ATOM     14  C   LIG    1       -0.522   1.616   0.351  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.854   1.655   0.594  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -3.479   1.332   0.295  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.561   1.603  -0.558  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -5.454   2.644  -0.282  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -5.284   3.418   0.862  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -6.380   4.698   1.203  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -4.233   3.153   1.735  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -3.340   2.112   1.456  0.00  0.00    +0.025 A 
ENDBRANCH  10  16
BRANCH   1  24
ATOM     23  C   LIG    1        3.843   1.396   1.083  0.00  0.00    +0.235 C 
ATOM     24  N   LIG    1        2.917   0.384   0.957  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        3.291  -0.561   0.975  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        3.607   2.598   1.001  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        5.254   0.844   1.423  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        6.330   1.855   1.032  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        6.519  -1.245   1.334  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        5.433  -0.467   0.751  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        5.630  -0.307  -0.240  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH   1  24
TORSDOF 4