REMARK  Name = BDB048778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.124  -0.729  -0.026  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.624   0.384   0.189  0.00  0.00    +0.141 A 
ATOM      3  N   LIG    1       -2.669  -0.597  -0.004  0.00  0.00    -0.330 N 
ATOM      4  C   LIG    1       -2.931  -1.988  -0.296  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.425  -0.006   0.080  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -1.688   1.337   0.270  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1       -0.740   2.465   0.418  0.00  0.00    +0.067 C 
ATOM      8  N   LIG    1       -3.039   1.561   0.307  0.00  0.00    -0.232 NA
BRANCH   2  12
ATOM      9  C   LIG    1       -7.867  -0.186   0.263  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -7.049  -0.950   1.096  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.660  -0.766   1.078  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -5.072   0.173   0.222  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -5.901   0.950  -0.595  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.286   0.764  -0.579  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.875  -1.184   1.053  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -9.230  -0.266   0.180  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.434  -0.697  -1.451  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.636  -1.463  -1.543  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.826  -0.859  -1.239  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.996   0.457  -0.804  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.283   0.907  -0.538  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        4.693   2.258  -0.042  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        6.192   2.249  -0.372  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.664   0.778  -0.292  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.393   0.067  -0.677  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        5.239  -1.238  -1.108  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.948  -1.694  -1.388  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.141   0.414   1.115  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.764  -0.952   1.177  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        7.446  -1.856   1.931  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.803  -1.102   0.334  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        9.123  -2.011   0.515  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9