REMARK  Name = BDB029560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.106   0.983   0.805  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.559  -0.123   1.084  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        0.760  -1.249   1.284  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.366  -2.576   1.230  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1        2.636  -2.635   2.063  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1        3.552  -1.515   1.665  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1        4.884  -1.721   1.819  0.00  0.00    -0.257 NA
ATOM      8  C   LIG    1        5.702  -0.688   1.496  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1        5.279   0.550   1.002  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        3.902   0.735   0.895  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        3.026  -0.308   1.215  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        6.213   1.579   0.754  0.00  0.00    -0.335 N 
ATOM     13  H   LIG    1        7.125   1.201   0.494  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.923   2.821   0.072  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        7.170   3.701  -0.111  0.00  0.00    +0.184 C 
ATOM     16  O   LIG    1        7.321   3.260  -1.486  0.00  0.00    -0.376 OA
ATOM     17  C   LIG    1        5.978   2.704  -1.459  0.00  0.00    +0.184 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  18
ATOM     18  C   LIG    1       -0.673  -1.137   0.988  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.985  -1.296  -0.509  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.966  -2.695  -0.853  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.889  -2.991  -0.705  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.356  -0.712  -0.923  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.481  -1.566  -0.467  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.563  -1.619  -1.476  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.399  -0.363  -1.580  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.529   0.506  -0.483  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.343   1.641  -0.588  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.041   1.902  -1.766  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.928   1.033  -2.849  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.750   0.255   0.783  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.115  -0.096  -2.756  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.070  -1.125   0.813  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7