REMARK  Name = BDB042527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.901   0.166   0.168  0.00  0.00    -0.023 C 
ATOM      2  C   LIG    1        2.689  -0.704  -0.040  0.00  0.00    +0.056 C 
ATOM      3  C   LIG    1        1.596   0.004  -0.846  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        1.375   1.370  -0.376  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        0.135   2.005  -0.379  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.025   3.225  -0.256  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.546   2.241  -0.355  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        3.798   1.499  -0.002  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.663  -1.532   1.180  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        7.507  -0.266   0.644  0.00  0.00    +0.130 A 
ATOM     11  N   LIG    1        6.306   0.275   0.325  0.00  0.00    -0.254 NA
ATOM     12  C   LIG    1        5.189  -0.465   0.543  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        5.266  -1.749   1.081  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.515  -2.286   1.402  0.00  0.00    +0.022 A 
BRANCH   9  16
ATOM     15  N   LIG    1       10.015  -2.450   1.746  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.961  -2.037   1.492  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.091   1.120  -0.526  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.387   1.925  -0.414  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.605   1.039  -0.499  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.912   0.511  -1.731  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.341   0.734  -2.538  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.984  -0.316  -2.000  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -5.170  -0.746  -3.131  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.865  -0.638  -0.852  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.559  -0.091   0.405  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -6.381  -0.381   1.502  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.496  -1.208   1.347  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.793  -1.748   0.097  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.979  -1.463  -0.998  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -7.303  -2.006  -2.179  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.386   0.774   0.560  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5