REMARK  Name = BDB057267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.305   1.075  -0.954  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        2.033   0.585  -0.655  0.00  0.00    -0.293 N 
ATOM      3  O   LIG    1        3.559   1.781  -1.928  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1        5.506   0.829   2.049  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1        6.605   0.203   1.575  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        6.613  -0.117   0.262  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        5.561   0.138  -0.596  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        4.433   0.752  -0.060  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        4.401   1.132   1.278  0.00  0.00    +0.080 A 
BRANCH   4  11
ATOM     10  C   LIG    1        6.625   0.885   4.103  0.00  0.00    +0.279 C 
ATOM     11  O   LIG    1        5.440   1.199   3.378  0.00  0.00    -0.480 OA
ENDBRANCH   4  11
ENDBRANCH   1   8
BRANCH   2  12
ATOM     12  C   LIG    1        1.806  -0.597   0.186  0.00  0.00    +0.112 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.906  -1.854  -0.629  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1        0.670  -2.557  -1.134  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        1.478  -3.169  -0.025  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   2  12
BRANCH   2  16
ATOM     16  C   LIG    1        0.937   1.008  -1.531  0.00  0.00    +0.143 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.302   1.420  -0.769  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -1.526   0.763  -0.983  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -2.682   1.132  -0.277  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.593   2.183   0.646  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.386   2.853   0.858  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -0.247   2.475   0.151  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.960   0.460  -0.472  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1       -5.088   0.752   0.293  0.00  0.00    -0.232 NA
ATOM     25  C   LIG    1       -6.013  -0.038  -0.180  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1       -7.439  -0.309   0.081  0.00  0.00    +0.076 C 
ATOM     27  C   LIG    1       -7.841  -1.098  -1.192  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -6.536  -1.692  -1.755  0.00  0.00    +0.123 C 
ATOM     29  N   LIG    1       -5.538  -0.812  -1.189  0.00  0.00    -0.334 N 
ATOM     30  C   LIG    1       -4.243  -0.526  -1.412  0.00  0.00    +0.115 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7