REMARK  Name = BDB007825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.958  -0.352  -0.731  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.944   0.530  -0.696  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.315   0.051  -0.579  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -1.254   1.040  -0.630  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1       -2.521   0.690  -0.080  0.00  0.00    +0.196 C 
ATOM      6  C   LIG    1       -2.475   0.810   1.474  0.00  0.00    +0.093 C 
ATOM      7  C   LIG    1       -2.906   2.225   1.710  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.495   2.770   0.570  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.999   4.060   0.573  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.894   4.811   1.745  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.301   4.263   2.893  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.805   2.958   2.882  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.021  -0.718  -0.451  0.00  0.00    +0.269 C 
ATOM     14  N   LIG    1       -2.018  -1.697  -0.406  0.00  0.00    -0.232 N 
ATOM     15  O   LIG    1       -4.216  -0.954  -0.629  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -3.530   1.775  -0.552  0.00  0.00    +0.093 C 
ATOM     17  C   LIG    1       -0.645  -1.302  -0.478  0.00  0.00    +0.103 A 
ATOM     18  C   LIG    1        0.430  -2.192  -0.568  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        1.741  -1.716  -0.680  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  14  20
ATOM     20  C   LIG    1       -2.370  -3.078  -0.362  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -1.853  -3.918   0.639  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -2.224  -5.264   0.705  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.129  -5.779  -0.220  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -3.586  -7.434  -0.140  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -3.672  -4.956  -1.203  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -3.300  -3.609  -1.267  0.00  0.00    +0.025 A 
ENDBRANCH  14  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.456  -0.360  -0.819  0.00  0.00    +0.235 C 
ATOM     28  N   LIG    1        3.213   0.233  -0.843  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        3.210   1.249  -0.854  0.00  0.00    +0.156 HD
ATOM     30  O   LIG    1        4.676  -1.562  -0.697  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1        5.591   0.677  -1.040  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1        6.916   0.141  -0.503  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1        5.966   3.089  -0.915  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1        5.199   1.960  -0.405  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1        5.339   1.887   0.605  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH   1  28
TORSDOF 4