REMARK  Name = BDB062372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.040  -1.941   0.987  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.217  -3.071   1.076  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        0.349  -3.345   0.015  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.311  -2.508  -1.108  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        1.153  -1.393  -1.201  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        2.032  -1.126  -0.146  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   2   7
ATOM      7  O   LIG    1        1.322  -3.817   2.220  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1        0.530  -4.993   2.304  0.00  0.00    +0.277 C 
ENDBRANCH   2   7
BRANCH   1   9
ATOM      9  O   LIG    1        2.904  -1.582   1.992  0.00  0.00    -0.488 OA
BRANCH   9  10
ATOM     10  C   LIG    1        2.183  -0.988   3.079  0.00  0.00    +0.231 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.026   0.139   3.676  0.00  0.00    +0.069 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.286   1.271   2.682  0.00  0.00    +0.163 C 
BRANCH  12  14
ATOM     13  C   LIG    1        1.480   2.773   3.052  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        2.081   1.837   2.166  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  15
ATOM     15  C   LIG    1        1.068  -0.450  -2.379  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.117   0.638  -2.127  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.216   0.417  -2.487  0.00  0.00    +0.220 C 
ATOM     18  O   LIG    1       -1.542  -0.542  -3.194  0.00  0.00    -0.275 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.278   1.375  -1.936  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -2.609   1.042  -0.473  0.00  0.00    +0.093 C 
ATOM     21  N   LIG    1       -3.486  -0.123  -0.301  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -3.008  -0.948  -0.672  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.740   0.052  -1.031  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -4.493   0.230  -2.525  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -3.550   1.399  -2.802  0.00  0.00    +0.015 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1        0.576   1.734  -1.300  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        1.867   2.464  -1.589  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        0.560   3.162  -1.788  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 10