REMARK  Name = BDB044058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.458  -0.026   0.449  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -5.330   0.314  -0.277  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -4.025  -0.011   0.016  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -3.250   0.522  -1.004  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -4.103   1.226  -1.996  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -3.785   1.807  -3.010  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -1.916   0.454  -1.117  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -5.445   1.048  -1.457  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -6.656   1.483  -1.960  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -7.800   1.161  -1.229  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -7.705   0.415  -0.036  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.981  -0.193  -0.182  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        0.321   0.328  -0.075  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        1.263  -0.261   0.773  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        0.905  -1.387   1.514  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -0.376  -1.925   1.409  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -1.312  -1.334   0.559  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  O   LIG    1        2.550   0.160   0.966  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.977   1.317   0.242  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.444   1.627   0.593  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        5.442   0.891  -0.215  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        5.371  -0.571   0.011  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        6.486  -1.316  -0.744  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1        7.785  -0.834  -0.373  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        7.878   0.569  -0.646  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        6.807   1.354   0.125  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   7  12
BRANCH   1  30
ATOM     27  N   LIG    1       -7.411  -1.593   2.046  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -8.131  -1.851   1.386  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -7.267  -2.207   2.839  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -6.343  -0.809   1.702  0.00  0.00    +0.245 C 
ATOM     31  O   LIG    1       -5.339  -0.785   2.399  0.00  0.00    -0.270 OA
ENDBRANCH   1  30
TORSDOF 6