REMARK  Name = BDB029583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.715   0.552  -1.057  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.363   0.189  -0.073  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.788  -0.612   0.908  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.424  -0.840   2.197  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.836   0.483   2.820  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.172   0.824   2.476  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -3.538   0.871   1.163  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -4.881   1.258   1.024  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -5.485   1.385  -0.229  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.761   1.139  -1.390  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.424   0.745  -1.251  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.794   0.602   0.010  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -5.319   1.217  -2.677  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -4.635   1.392  -3.409  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -6.636   1.062  -3.141  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -7.047   1.679  -4.319  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1       -8.304   1.604  -4.813  0.00  0.00    -0.156 NA
ATOM     18  N   LIG    1       -9.238   0.899  -4.133  0.00  0.00    -0.158 NA
ATOM     19  C   LIG    1       -8.890   0.291  -2.981  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1       -7.612   0.352  -2.453  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1        0.650  -0.905   0.800  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.521   0.223   1.377  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.492   0.158   2.817  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.237  -0.438   3.043  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.996   0.164   0.915  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.730  -0.940   1.581  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.099  -0.527   1.966  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.075  -0.408   0.818  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.892  -1.152  -0.361  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.833  -1.059  -1.396  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.958  -0.248  -1.254  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.151   0.477  -0.081  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.660  -2.002  -0.541  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.217   0.395   0.952  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        3.834  -2.155   0.748  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7