REMARK  Name = BDB044064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.358   0.508   1.236  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -4.921   0.295  -0.059  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -3.614   0.240  -0.493  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -3.667   0.011  -1.862  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -5.073  -0.092  -2.325  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -5.499  -0.294  -3.441  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -2.612  -0.125  -2.676  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -5.835   0.108  -1.098  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -7.203   0.124  -0.910  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -7.662   0.341   0.388  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -6.751   0.531   1.448  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.213  -0.042  -2.244  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1       -0.743   1.009  -1.450  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        0.604   1.064  -1.079  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        1.502   0.082  -1.502  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        1.042  -0.957  -2.310  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -0.307  -1.014  -2.682  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1        2.785   0.257  -1.065  0.00  0.00    -0.483 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.740  -0.723  -1.450  0.00  0.00    +0.324 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.121  -0.405  -0.869  0.00  0.00    +0.253 C 
ATOM     21  N   LIG    1        5.234  -0.245   0.503  0.00  0.00    -0.294 N 
ATOM     22  C   LIG    1        4.132  -0.369   1.462  0.00  0.00    +0.136 C 
ATOM     23  C   LIG    1        4.657  -0.697   2.864  0.00  0.00    +0.179 C 
ATOM     24  O   LIG    1        5.580   0.274   3.373  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        6.349   0.939   2.360  0.00  0.00    +0.179 C 
ATOM     26  C   LIG    1        6.530   0.117   1.081  0.00  0.00    +0.136 C 
ATOM     27  O   LIG    1        6.104  -0.343  -1.612  0.00  0.00    -0.272 OA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  31
ATOM     28  N   LIG    1       -3.111   0.629   2.201  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -2.687   0.398   1.312  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -2.510   0.747   3.006  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1       -4.458   0.714   2.400  0.00  0.00    +0.245 C 
ATOM     32  O   LIG    1       -4.907   0.949   3.515  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 5