REMARK  Name = BDB041216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.948  -3.256   0.066  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.009  -2.371   0.621  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -1.383  -1.106   0.922  0.00  0.00    -0.207 NA
ATOM      4  C   LIG    1       -2.640  -0.720   0.676  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -3.595  -1.476   0.132  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -3.217  -2.736  -0.152  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.982   0.647   1.009  0.00  0.00    +0.148 A 
ATOM      8  N   LIG    1       -3.679   1.506   0.185  0.00  0.00    -0.255 N 
ATOM      9  N   LIG    1       -3.907   2.723   0.744  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -3.298   2.648   1.927  0.00  0.00    +0.180 A 
ATOM     11  C   LIG    1       -2.703   1.392   2.140  0.00  0.00    +0.168 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -4.147   1.268  -1.181  0.00  0.00    +0.102 C 
ATOM     13  C   LIG    1       -5.651   1.005  -1.201  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1       -3.778   2.416  -2.127  0.00  0.00    +0.032 C 
ENDBRANCH   8  12
BRANCH  11  15
ATOM     15  O   LIG    1       -2.013   0.895   3.194  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -1.791   1.832   4.238  0.00  0.00    +0.277 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1       -2.604  -5.432  -0.681  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -1.591  -4.542  -0.232  0.00  0.00    -0.490 OA
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  N   LIG    1        0.318  -2.688   0.887  0.00  0.00    -0.315 N 
ATOM     20  C   LIG    1        0.922  -3.960   0.532  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  C   LIG    1        1.156  -1.717   1.599  0.00  0.00    +0.110 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.116  -0.971   0.655  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        1.402  -0.066  -0.354  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        2.389   0.620  -1.309  0.00  0.00    +0.107 C 
ATOM     25  N   LIG    1        3.700   0.834  -0.672  0.00  0.00    -0.315 N 
ATOM     26  C   LIG    1        3.634   1.107   0.760  0.00  0.00    +0.107 C 
ATOM     27  C   LIG    1        3.126  -0.145   1.483  0.00  0.00    +0.024 C 
BRANCH  25  28
ATOM     28  C   LIG    1        4.580   1.625  -1.423  0.00  0.00    +0.121 A 
ATOM     29  N   LIG    1        4.141   2.221  -2.555  0.00  0.00    -0.240 NA
ATOM     30  C   LIG    1        5.008   2.965  -3.279  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        6.335   3.147  -2.944  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.800   2.520  -1.801  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.918   1.750  -1.041  0.00  0.00    +0.043 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8