REMARK  Name = BDB012900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.584  -0.527  -1.284  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.505   0.131  -0.714  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.817  -0.014  -1.300  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.741   0.808  -0.399  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.075   0.632   0.969  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.410   0.674   0.636  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.425  -1.246  -2.269  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.975  -0.552   0.056  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.614   0.704   0.349  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.373   0.809  -0.152  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.918   1.714  -0.107  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.882  -0.349  -0.684  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.932  -1.242  -0.604  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.449  -0.306  -0.294  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.335  -1.077   0.416  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.561  -1.080   1.929  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.125   0.371  -0.420  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.407  -0.289  -1.133  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.102   1.103   0.226  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        3.863   2.110   0.882  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.504   0.632   0.061  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        5.810  -0.710  -0.182  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        7.141  -1.089  -0.321  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        7.434  -2.375  -0.555  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        8.173  -0.162  -0.218  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        7.873   1.175   0.040  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.541   1.570   0.183  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4