REMARK  Name = BDB029594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.043  -0.303  -0.155  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -3.694  -0.120   0.194  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -2.640  -0.958  -0.261  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.276  -0.523   0.203  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1       -0.094  -1.170  -0.157  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1       -0.001  -2.157  -1.219  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -0.983  -3.285  -1.002  0.00  0.00    +0.248 C 
ATOM      8  O   LIG    1       -2.205  -2.988  -1.653  0.00  0.00    -0.490 OA
ATOM      9  O   LIG    1       -1.217   0.466   0.944  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -2.992  -2.035  -1.080  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1       -4.337  -2.217  -1.446  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.348  -1.373  -0.986  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -6.008   0.568   0.389  0.00  0.00    -0.300 N 
ATOM     14  H   LIG    1       -5.613   1.475   0.623  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1       -7.960   2.771   0.828  0.00  0.00    +0.174 C 
ATOM     16  N   LIG    1       -8.229   1.353   0.825  0.00  0.00    -0.254 N 
ATOM     17  C   LIG    1       -7.330   0.331   0.598  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -8.078  -0.823   0.695  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1       -9.392  -0.399   0.960  0.00  0.00    +0.136 A 
ATOM     20  N   LIG    1       -9.492   0.928   1.036  0.00  0.00    -0.178 NA
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1        1.171  -0.532   0.251  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.621   0.561  -0.734  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.195  -0.058  -1.902  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        3.138  -0.190  -1.666  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.668   1.529  -0.139  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.985   0.867   0.014  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.070   1.779  -0.414  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.457   1.224  -0.169  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.671   0.217   0.788  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.968  -0.260   1.020  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.050   0.278   0.326  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.845   1.291  -0.609  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.498  -0.390   1.514  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.555   1.764  -0.853  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.233   0.472   1.414  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7