REMARK  Name = BDB018777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.438   0.089   0.577  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        4.559  -1.009   0.048  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1        3.202  -0.351  -0.270  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1        2.570  -1.003  -1.513  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1        3.201  -1.540  -2.418  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1        1.210  -0.852  -1.605  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        0.761  -1.177  -2.452  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        0.464  -0.392  -0.518  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1        1.074  -0.145   0.711  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        0.403   0.276   1.798  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -0.933   0.456   1.654  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1       -1.646   0.233   0.474  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -0.910  -0.205  -0.635  0.00  0.00    +0.038 A 
ATOM     14  O   LIG    1        2.410  -0.359   0.921  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1        3.620   1.091  -0.583  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1        4.701   1.369   0.451  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -3.089   0.457   0.400  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1       -3.966  -0.616   0.114  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -5.336  -0.380   0.040  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1       -5.902  -1.595  -0.248  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1       -6.886  -1.804  -0.375  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1       -5.017  -2.599  -0.365  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1       -5.908   0.879   0.241  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.038   1.933   0.531  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.845  -2.006  -0.132  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1       -3.659   1.729   0.610  0.00  0.00    +0.009 A 
ENDBRANCH  12  17
BRANCH   1  28
ATOM     27  N   LIG    1        7.327  -0.284   2.164  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        6.452  -0.112   1.428  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 2