REMARK  Name = BDB018694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.845   0.433   0.544  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.139  -0.776   0.464  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.250  -0.773   0.556  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -0.964  -1.971   0.506  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -0.494  -2.868   0.528  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.335  -1.978   0.563  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -2.989  -0.597   0.376  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -4.403  -0.587   0.986  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -5.229   0.302   0.099  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -4.400   0.688  -1.068  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -2.267   0.520   0.902  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -3.285  -0.348  -1.107  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -2.950  -3.035   0.666  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -0.909   0.441   0.741  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -0.271   1.621   0.827  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1        1.081   1.590   0.723  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        5.389  -0.084  -0.708  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        3.990  -0.130  -0.618  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.312   0.482   0.451  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        4.078   1.140   1.428  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        5.472   1.188   1.342  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.128   0.577   0.276  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        6.590  -1.232  -2.700  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        6.056  -0.715  -1.808  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   9  25
ATOM     25  C   LIG    1       -6.297   0.991   0.520  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -7.218   1.588   0.886  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 3