REMARK  Name = BDB018107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.941   0.609  -0.309  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.939  -0.262   0.467  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.659  -0.516  -0.324  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.007   0.741  -0.688  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -1.379   0.827  -0.619  0.00  0.00    +0.241 C 
ATOM      6  O   LIG    1       -2.085  -0.132  -0.292  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.872   1.854  -1.078  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        2.275   1.394  -1.453  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.076  -0.263  -0.845  0.00  0.00    +0.166 C 
ATOM     10  O   LIG    1        4.020  -0.775  -1.963  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        7.599  -1.073   1.507  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        7.557  -1.377   0.147  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        6.402  -1.106  -0.597  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.278  -0.525   0.007  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        5.321  -0.229   1.372  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        6.477  -0.501   2.112  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        9.817  -1.883   1.785  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.656  -1.283   2.348  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -2.021   2.183  -0.974  0.00  0.00    +0.256 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.411   2.261  -0.685  0.00  0.00    -0.363 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.224   1.556  -1.621  0.00  0.00    +0.234 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.286   0.768  -0.871  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1       -4.816  -0.171   0.010  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1       -3.809  -0.286   0.130  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -5.629  -0.958   0.781  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -5.205  -1.780   1.583  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -7.074  -0.753   0.586  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1       -7.474   0.211  -0.345  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -8.849   0.403  -0.532  0.00  0.00    +0.152 A 
ATOM     30  C   LIG    1       -9.792  -0.335   0.178  0.00  0.00    +0.079 A 
ATOM     31  C   LIG    1       -9.358  -1.283   1.095  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1      -10.261  -1.996   1.781  0.00  0.00    -0.205 F 
ATOM     33  F   LIG    1       -9.288   1.314  -1.415  0.00  0.00    -0.203 F 
ATOM     34  C   LIG    1       -8.005  -1.505   1.310  0.00  0.00    +0.054 A 
ATOM     35  N   LIG    1       -6.547   0.977  -1.078  0.00  0.00    -0.228 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7