REMARK  Name = BDB045134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.985   0.282   0.468  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.457   0.420   1.752  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.072   0.439   1.929  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.229   0.335   0.817  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1       -0.766   0.221  -0.470  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.151   0.204  -0.644  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.230   0.357   1.030  0.00  0.00    +0.160 C 
ATOM      8  N   LIG    1        2.072   0.252   0.052  0.00  0.00    -0.093 NA
BRANCH   8   9
ATOM      9  O   LIG    1        3.374   0.306   0.572  0.00  0.00    -0.394 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.297   0.203  -0.512  0.00  0.00    +0.263 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.710   0.261   0.052  0.00  0.00    +0.048 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.754   0.156  -1.057  0.00  0.00    +0.038 C 
BRANCH  12  13
ATOM     13  C   LIG    1        8.157   0.211  -0.508  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        8.817  -0.964  -0.123  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       10.110  -0.910   0.400  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       10.753   0.318   0.547  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       10.103   1.493   0.173  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.810   1.441  -0.350  0.00  0.00    +0.003 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  O   LIG    1       -4.340   0.295   0.293  0.00  0.00    -0.477 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.906  -1.019   0.417  0.00  0.00    +0.285 C 
BRANCH  20  22
ATOM     21  O   LIG    1       -4.864  -1.237  -2.046  0.00  0.00    -0.247 OA
ATOM     22  C   LIG    1       -5.146  -1.676  -0.942  0.00  0.00    +0.346 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -5.681  -2.915  -0.838  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -5.767  -3.199  -1.774  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
BRANCH  20  25
ATOM     25  C   LIG    1       -6.203  -0.923   1.238  0.00  0.00    +0.091 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -7.362  -0.246   0.540  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -7.370   1.141   0.342  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.440   1.758  -0.309  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -9.513   0.997  -0.766  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.518  -0.383  -0.572  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.449  -1.002   0.077  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 12