REMARK  Name = BDB003792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.846  -0.049   0.173  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.337   0.588   0.122  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.409  -0.020   0.658  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.317  -1.244   1.281  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.075  -1.821   1.291  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.008  -1.251   0.741  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.904   0.639  -0.415  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.561   1.522  -0.764  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.040  -0.039  -0.993  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        5.268  -1.000  -0.337  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        3.897  -0.791  -0.136  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.267   0.375  -0.581  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.058   1.331  -1.241  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.429   1.132  -1.446  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        8.086  -1.296  -0.818  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.486  -0.302  -1.183  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.118   0.697  -1.824  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        9.047   0.389  -1.875  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.616   0.693   0.600  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -2.424   1.576   0.127  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.931   0.234   0.372  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -5.031   1.030   0.755  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1       -6.341   0.563   0.528  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -6.566  -0.664  -0.090  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.486  -1.441  -0.489  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.183  -0.994  -0.263  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.829   2.358   1.441  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1       -4.414   2.233   2.732  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -3.902   3.143   0.818  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -5.963   3.116   1.493  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7