REMARK  Name = BDB008922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.737  -0.443  -1.084  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.059  -0.251   0.051  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.041  -1.191   0.393  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.198  -2.329  -0.413  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.416  -2.507  -1.557  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.545  -1.559  -1.902  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.026   0.241  -1.711  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1        3.603   1.057  -1.880  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.729   0.595  -1.431  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.394   1.776  -1.450  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.729  -0.944  -1.228  0.00  0.00    +0.119 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.974  -0.917   0.294  0.00  0.00    +0.100 C 
BRANCH  12  13
ATOM     13  N   LIG    1        4.497   0.351   0.818  0.00  0.00    -0.312 NA
ATOM     14  H   LIG    1        3.855   1.098   0.542  0.00  0.00    +0.122 HD
BRANCH  13  16
ATOM     15  C   LIG    1        6.159   2.121   0.846  0.00  0.00    +0.023 C 
ATOM     16  C   LIG    1        5.857   0.692   0.384  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        6.904  -0.263   0.958  0.00  0.00    +0.023 C 
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.897  -0.988   1.621  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.394  -1.043   1.331  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -4.062   0.109   0.647  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.292   1.347   0.278  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.191   2.534  -0.085  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.332   2.098  -0.995  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.190   1.025  -0.322  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -5.375  -0.022   0.388  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -6.098  -1.250   0.803  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -7.298  -1.397   0.597  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -5.345  -2.203   1.434  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -5.821  -3.050   1.726  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -4.014  -2.126   1.697  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7