REMARK  Name = BDB029682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.016  -0.254   0.906  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.082   0.569   0.106  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1       -0.410   0.535   0.364  0.00  0.00    +0.079 C 
ATOM      4  N   LIG    1       -0.961  -0.399   1.388  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        0.076  -0.825   2.356  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.393   1.748   0.737  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        1.406  -1.306   1.730  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.094  -0.169  -0.004  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.338   0.918  -0.309  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.021   0.833   0.013  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.388  -0.264   0.616  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.225  -1.348   0.908  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.588  -1.309   0.599  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.288   1.408  -1.267  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.919   1.086  -0.975  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.194   1.797  -1.044  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.551  -0.087  -0.351  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.325  -0.998  -0.081  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.599  -1.577   0.765  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.901  -1.250   0.073  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -3.900  -0.495   0.702  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -5.086  -0.247   0.024  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -5.248  -0.768  -1.258  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -6.494  -0.510  -1.971  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -7.473   0.220  -1.407  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -7.295   0.780  -0.028  0.00  0.00    +0.252 A 
ATOM     27  O   LIG    1       -8.169   1.450   0.513  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -8.771   0.520  -2.086  0.00  0.00    +0.049 C 
ATOM     29  N   LIG    1       -4.314  -1.510  -1.891  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -6.109   0.511   0.605  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -6.001   0.897   1.533  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.167  -1.734  -1.209  0.00  0.00    +0.116 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4