REMARK  Name = BDB018872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.652   0.791  -0.641  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.593  -0.067  -0.337  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        0.636  -1.561  -0.229  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -0.796  -1.899   0.191  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -1.588  -0.658   0.130  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -2.944  -0.538   0.412  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1       -3.542   0.541   0.441  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -0.709   0.409  -0.149  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -0.996   1.760  -0.259  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.050   2.647  -0.544  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        1.357   2.160  -0.743  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        5.095  -0.657   0.002  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1        3.789  -0.186   0.204  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.018   0.305  -0.862  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1        3.584   0.323  -2.144  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.880  -0.149  -2.358  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.631  -0.640  -1.291  0.00  0.00    +0.003 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.635  -2.676   1.387  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        5.900  -1.196   1.157  0.00  0.00    +0.032 C 
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -3.708  -1.857   0.641  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1       -4.974  -1.680   1.417  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -6.125  -1.700   0.477  0.00  0.00    +0.117 C 
ATOM     23  C   LIG    1       -5.513  -1.767  -0.915  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -4.175  -2.448  -0.689  0.00  0.00    +0.034 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -5.026  -1.195   2.664  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1       -5.057  -0.803   3.752  0.00  0.00    -0.174 NA
ENDBRANCH  21  25
ENDBRANCH   6  20
BRANCH  10  27
ATOM     27  C   LIG    1       -0.179   4.114  -0.677  0.00  0.00    +0.244 C 
ATOM     28  N   LIG    1       -1.261   4.635   0.003  0.00  0.00    -0.314 N 
ATOM     29  H   LIG    1       -1.727   4.070   0.701  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       -1.503   6.056   0.023  0.00  0.00    +0.128 C 
ATOM     31  O   LIG    1        0.594   4.797  -1.340  0.00  0.00    -0.270 OA
ENDBRANCH  10  27
TORSDOF 5