REMARK  Name = BDB028109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.446   0.645  -0.076  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.320  -0.334  -0.569  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.676  -0.062  -0.532  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.795  -0.897  -0.979  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.952  -0.155  -0.786  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.687   1.102  -0.098  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.692  -2.021  -1.432  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.197   1.125  -0.022  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -2.351   2.099   0.475  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.972   1.853   0.444  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.277  -0.756  -0.882  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.807  -1.222   0.485  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.130  -1.287   1.508  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -8.139  -1.565   0.511  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.483  -1.852   1.418  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -9.104  -1.085  -0.338  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1      -10.291  -1.113  -0.029  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.627  -0.544  -1.665  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -7.298   0.182  -1.516  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.041   0.409  -0.079  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        3.793   0.203   0.703  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        3.497   0.733  -0.096  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        2.833  -0.010   1.655  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        1.551   0.251   1.265  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        0.889  -0.026   1.981  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        3.007  -0.403   2.803  0.00  0.00    -0.252 OA
BRANCH  21  31
ATOM     27  C   LIG    1        7.952  -0.626   0.875  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        7.409   0.082  -0.196  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        6.026   0.361  -0.257  0.00  0.00    -0.026 A 
ATOM     30  C   LIG    1        5.510   1.129  -1.445  0.00  0.00    +0.046 C 
ATOM     31  C   LIG    1        5.178  -0.077   0.784  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        5.736  -0.792   1.847  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1        7.107  -1.061   1.892  0.00  0.00    +0.047 A 
BRANCH  27  35
ATOM     34  C   LIG    1       10.174  -0.527   0.034  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        9.268  -0.955   1.042  0.00  0.00    -0.495 OA
ENDBRANCH  27  35
ENDBRANCH  21  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5