REMARK  Name = BDB008570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.877  -1.317   0.588  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.717  -2.342   1.533  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        0.730  -3.291   1.301  0.00  0.00    +0.139 A 
ATOM      4  O   LIG    1        0.699  -4.196   2.318  0.00  0.00    -0.463 OA
ATOM      5  C   LIG    1        1.670  -3.837   3.198  0.00  0.00    +0.196 A 
ATOM      6  C   LIG    1       -0.106  -3.300   0.183  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        0.084  -2.290  -0.778  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        2.323  -2.707   2.765  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        1.082  -1.316  -0.567  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.778  -2.184  -2.039  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -1.574  -3.433  -2.435  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.623  -0.969  -1.998  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.579  -0.846  -0.984  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.929  -1.807  -0.288  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.113   0.558  -0.614  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.574   1.379  -1.685  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -3.385   2.782  -1.460  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -3.507   3.165   0.021  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -2.466   2.534   0.852  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -2.849   2.378   1.785  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.042   1.243   0.271  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.344   0.066  -2.969  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.014  -0.239  -4.415  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.328   0.379  -4.071  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  O   LIG    1        2.833  -0.343   0.756  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.227   0.856   1.253  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.320   1.816   1.707  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.139   1.242   2.861  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        4.680   3.131   4.203  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.150   2.161   3.276  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9