REMARK  Name = BDB018271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304  -0.236  -2.442  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.140  -0.290  -2.792  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.514  -0.033  -4.062  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -0.389   0.234  -5.071  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.110   0.453  -6.418  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.756   0.183  -4.855  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -2.613   0.332  -5.722  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.178  -0.055  -3.454  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -2.129   0.431   1.124  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -1.042   0.220   0.056  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1       -1.739  -0.370  -1.107  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -3.128  -0.669  -0.717  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -3.106  -0.692   0.805  0.00  0.00    +0.042 C 
BRANCH   9  16
ATOM     14  C   LIG    1       -1.781   0.601   4.893  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -2.416   0.794   3.543  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1       -1.635   0.382   2.489  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -0.768  -0.108   2.677  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -3.525   1.300   3.410  0.00  0.00    -0.276 OA
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1        1.140  -0.692  -1.853  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        2.118   0.105  -1.301  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        2.768  -0.686  -0.394  0.00  0.00    -0.267 N 
ATOM     22  N   LIG    1        2.349  -1.972  -0.405  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        1.340  -1.965  -1.282  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.782  -0.257   0.558  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.143   0.251   1.829  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        2.740  -0.650   2.826  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.138  -0.189   3.998  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        1.924   1.175   4.181  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.304   2.079   3.190  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.911   1.621   2.019  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 5