REMARK  Name = BDB012810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.855  -0.648   0.252  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.046   0.230  -0.613  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.394  -0.250  -0.333  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.477   0.337  -0.971  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.312   1.247  -1.781  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.415  -1.020   0.907  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.018  -0.857   1.496  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.511   2.711   2.587  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.466   1.578   1.606  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.266   0.994   1.388  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.202  -0.033   0.510  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.324  -0.493  -0.174  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.568   0.110   0.048  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.627   1.167   0.960  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.773  -0.352  -0.659  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1       -6.178  -1.696  -0.597  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -7.322  -2.135  -1.268  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -8.080  -1.237  -2.015  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -7.695   0.100  -2.091  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.552   0.538  -1.417  0.00  0.00    +0.008 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.794  -0.156  -0.655  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        4.137  -1.461  -0.446  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.535  -2.274  -0.493  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.435  -1.654  -0.163  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.974  -0.432  -0.272  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.990   0.532  -0.597  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.447  -0.233  -0.062  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        8.131   0.288  -1.327  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.725   0.698   1.121  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4