REMARK  Name = BDB032220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   0.349  -1.408  0.00  0.00    +0.222 A 
ATOM      2  C   LIG    1       -0.968   1.002  -0.746  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.675   2.250  -0.180  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.614   2.765  -0.261  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        1.575   2.026  -0.929  0.00  0.00    +0.218 A 
ATOM      6  N   LIG    1        1.331   0.832  -1.501  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.911  -1.482  -2.614  0.00  0.00    +0.279 C 
ATOM      8  O   LIG    1       -0.222  -0.857  -2.016  0.00  0.00    -0.479 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  C   LIG    1       -2.364   0.431  -0.711  0.00  0.00    +0.142 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.984   0.668   0.594  0.00  0.00    -0.340 N 
ATOM     11  H   LIG    1       -2.351   0.431   1.356  0.00  0.00    +0.146 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -4.276   0.191   0.844  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.712   0.119   2.176  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -6.016  -0.288   2.519  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -6.940  -0.609   1.505  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -8.237  -1.015   1.908  0.00  0.00    +0.124 A 
ATOM     17  N   LIG    1       -8.614  -1.100   3.197  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -7.705  -0.780   4.137  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1       -6.512  -0.492   0.165  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -6.415  -0.375   3.855  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.209  -0.086  -0.155  0.00  0.00    +0.023 A 
BRANCH  16  22
ATOM     22  N   LIG    1       -9.221  -1.349   0.963  0.00  0.00    -0.343 N 
ATOM     23  H   LIG    1       -9.398  -0.543   0.371  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1       -8.883  -2.111   0.385  0.00  0.00    +0.144 HD
ENDBRANCH  16  22
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   2   9
BRANCH   5  25
ATOM     25  O   LIG    1        2.843   2.567  -0.955  0.00  0.00    -0.476 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.789   1.904  -1.797  0.00  0.00    +0.234 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.858   1.197  -0.951  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        5.998   0.689  -1.842  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        7.038  -0.088  -1.034  0.00  0.00    +0.084 C 
ATOM     30  N   LIG    1        6.417  -1.207  -0.316  0.00  0.00    -0.305 NA
ATOM     31  C   LIG    1        7.429  -1.976   0.408  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        5.378  -0.731   0.607  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1        4.281   0.030  -0.139  0.00  0.00    +0.022 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8