REMARK  Name = BDB018357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.491  -5.667   1.423  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.125  -4.379   1.145  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.376  -4.097   1.674  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        2.029  -4.854   2.386  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.930  -2.765   1.339  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        1.275  -1.891   0.549  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -0.029  -2.291  -0.024  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.534  -3.495   0.311  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.843  -0.593   0.311  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.128  -0.330  -0.110  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        3.228   1.031  -0.195  0.00  0.00    -0.262 N 
ATOM     12  N   LIG    1        2.095   1.675   0.165  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        1.251   0.681   0.464  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        4.381   1.796  -0.628  0.00  0.00    +0.238 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.050   2.485   0.537  0.00  0.00    +0.232 C 
ATOM     16  O   LIG    1        6.210   2.261   0.873  0.00  0.00    -0.274 OA
ATOM     17  N   LIG    1        4.304   3.433   1.182  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        4.695   3.804   2.038  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        3.289   3.345   1.140  0.00  0.00    +0.145 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -0.743  -1.454  -0.939  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.993  -0.913  -0.744  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1       -2.237  -0.132  -1.842  0.00  0.00    -0.267 N 
ATOM     23  N   LIG    1       -1.262  -0.204  -2.774  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -0.342  -0.991  -2.208  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.398   0.722  -2.065  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.432   1.881  -1.098  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -4.527   2.061  -0.239  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.557   3.134   0.654  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.498   4.039   0.696  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.409   3.876  -0.157  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.377   2.807  -1.052  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 6