REMARK  Name = BDB016199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.955   3.223   0.053  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.287   1.792  -0.373  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -3.183   0.935   0.009  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.636   1.244   0.823  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.158  -0.452  -0.150  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -4.191  -1.226  -0.723  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.964  -2.588  -1.022  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.760  -3.217  -0.718  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.747  -2.489  -0.118  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -5.503  -0.795  -1.012  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.100  -1.437  -1.520  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -6.202   0.297  -0.605  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -7.383   0.402  -0.947  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.934  -1.122   0.143  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -5.565   1.320   0.282  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.802  -0.371   0.764  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        0.421  -0.570   0.148  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.414  -1.102  -0.713  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -1.041   0.355   1.723  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.668  -0.033   0.528  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.763  -0.306  -0.302  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.038   0.179   0.006  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        4.227   0.955   1.146  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.142   1.229   1.979  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        1.870   0.735   1.674  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  O   LIG    1        5.022  -0.158  -0.891  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.403   0.050  -0.519  0.00  0.00    +0.224 C 
ATOM     28  C   LIG    1        7.014  -0.890   0.530  0.00  0.00    +0.206 C 
ATOM     29  O   LIG    1        8.131  -1.204  -0.339  0.00  0.00    -0.372 OA
ATOM     30  C   LIG    1        7.443  -0.583  -1.453  0.00  0.00    +0.206 C 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 4