REMARK  Name = BDB021481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.696   0.372  -1.631  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        4.067   0.422  -0.389  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.671   0.253  -0.253  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        2.295   0.355   1.057  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.919   0.264   1.398  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.304  -1.025   0.883  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.276  -0.813  -0.434  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.414  -0.188  -1.465  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.170   0.189  -2.484  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.892   0.015  -1.391  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.541  -0.031  -2.643  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.921   0.141  -2.760  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        6.031   0.516  -1.876  0.00  0.00    -0.491 OA
BRANCH  13  14
ATOM     14  C   LIG    1        6.891   0.901  -0.798  0.00  0.00    +0.244 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.425  -0.337  -0.057  0.00  0.00    +0.124 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.498  -1.248   1.896  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        8.231  -0.022   1.139  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1        9.497   0.626   0.789  0.00  0.00    +0.104 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  C   LIG    1       -1.734  -0.962  -0.564  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.494   0.325  -0.191  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.370   0.595   1.216  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.818   1.444   1.374  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.982   0.274  -0.622  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.737  -0.940  -0.248  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -6.080  -0.942  -0.863  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -7.094  -0.048  -0.178  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.936   0.322   1.170  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.907   1.119   1.791  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -9.038   1.529   1.086  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.206   1.150  -0.244  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.697  -0.084   1.930  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -8.241   0.362  -0.873  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.880  -1.160   1.200  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 9