REMARK  Name = BDB012870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.134   1.464  -0.690  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.246   0.920   0.226  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.169   1.263   0.157  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.828   0.413   1.250  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.060  -0.829   1.278  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.454  -0.253   1.065  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.735   2.194  -1.595  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.689   0.670  -0.837  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.504   0.694   0.490  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.213   1.032   0.630  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.860   1.189   1.566  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.528   1.133  -0.548  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.487   0.955  -1.526  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.077   1.420  -1.034  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        7.035   0.372  -1.432  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.519  -1.033  -1.070  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.220   0.101   0.997  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -2.437  -0.669   0.378  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.187   1.053   1.198  0.00  0.00    +0.237 C 
ATOM     20  O   LIG    1       -2.969   2.165   1.663  0.00  0.00    -0.271 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.547   0.691   0.735  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1       -5.040  -0.557   0.773  0.00  0.00    +0.013 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.400  -0.908   0.340  0.00  0.00    -0.025 A 
ATOM     24  C   LIG    1       -6.611  -2.136  -0.301  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -7.893  -2.518  -0.705  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -8.979  -1.681  -0.462  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.785  -0.465   0.190  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.503  -0.082   0.593  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5