REMARK  Name = BDB047851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.425  -0.906  -1.409  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        3.692   0.434  -1.735  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        2.644   1.284  -2.142  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.584   2.651  -2.525  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.274   2.947  -2.824  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.528   1.811  -2.620  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1        1.347   0.772  -2.219  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.059  -0.565  -1.908  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        2.115  -1.388  -1.504  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        4.543  -1.821  -0.953  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.123  -1.506   0.440  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.005  -1.443   1.492  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1        3.763  -0.532   2.268  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.283  -2.585   1.560  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        2.611  -2.382   2.245  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1        5.947  -0.343   0.331  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1        7.642   1.090   1.198  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        6.817  -0.158   1.446  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -0.912   1.723  -2.837  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.664   1.513  -1.571  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1       -1.567   2.155  -0.353  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -0.724   3.233   0.194  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -2.483   1.597   0.492  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1       -3.104   0.634  -0.259  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1       -2.656   0.552  -1.498  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -4.149  -0.145   0.399  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -4.504   0.067   1.738  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -5.509  -0.695   2.343  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.178  -1.690   1.621  0.00  0.00    -0.048 A 
ATOM     30  C   LIG    1       -5.834  -1.903   0.282  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.828  -1.140  -0.320  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -7.274  -2.499   2.268  0.00  0.00    +0.032 C 
ATOM     33  C   LIG    1       -8.636  -1.843   2.098  0.00  0.00    +0.009 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 10