REMARK  Name = BDB029580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.860   0.007  -0.377  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.525  -0.423  -0.354  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.444   0.433  -0.028  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.112  -0.241  -0.061  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1        0.059   0.175   0.743  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1        0.044   1.450   1.441  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1        0.482   2.572   0.517  0.00  0.00    +0.248 C 
ATOM      8  O   LIG    1        1.881   2.787   0.603  0.00  0.00    -0.490 OA
ATOM      9  O   LIG    1        0.968  -1.208  -0.815  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.724   1.766   0.278  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        4.061   2.196   0.273  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.112   1.332  -0.043  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        5.871  -0.933  -0.664  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        5.523  -1.675  -1.268  0.00  0.00    +0.152 HD
BRANCH  13  19
ATOM     15  C   LIG    1       10.592  -2.058  -0.707  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        9.313  -1.468  -0.398  0.00  0.00    -0.273 N 
ATOM     17  N   LIG    1        9.233  -0.532   0.567  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        7.932  -0.222   0.588  0.00  0.00    +0.157 A 
ATOM     19  C   LIG    1        7.192  -0.937  -0.375  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        8.113  -1.757  -0.981  0.00  0.00    +0.131 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -1.172  -0.636   0.785  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.110  -0.340  -0.404  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.644  -0.981  -1.601  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -0.676  -1.121  -1.508  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.547  -0.842  -0.137  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.218  -0.224   1.024  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.485  -0.919   1.336  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.648  -0.577   0.429  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.668   0.624  -0.303  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.774   0.931  -1.107  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.864   0.064  -1.167  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.856  -1.117  -0.429  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.477   1.549  -0.276  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.756  -1.435   0.368  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.496   1.214   0.857  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7