REMARK  Name = BDB004195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.277   0.509  -1.018  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.101   0.042  -2.222  0.00  0.00    +0.005 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.989  -1.167  -1.903  0.00  0.00    +0.035 C 
BRANCH   3   7
ATOM      4  C   LIG    1        5.261  -0.261   0.777  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        5.297   0.166  -0.556  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        4.241  -0.129  -1.422  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.132  -0.856  -0.969  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1        3.099  -1.283   0.365  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        4.154  -0.988   1.234  0.00  0.00    +0.015 A 
BRANCH   4  10
ATOM     10  C   LIG    1        6.412   0.081   1.657  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1        7.388   0.708   1.275  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.216  -0.401   2.909  0.00  0.00    -0.461 OA
BRANCH  12  14
ATOM     13  C   LIG    1        8.329  -1.205   3.776  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        7.261  -0.129   3.853  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.598   1.733  -1.312  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.688   1.464  -2.352  0.00  0.00    +0.002 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.677   2.625  -2.505  0.00  0.00    +0.019 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.622   2.840  -1.315  0.00  0.00    +0.111 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -4.508   1.709  -1.058  0.00  0.00    -0.270 N 
ATOM     20  C   LIG    1       -4.187   0.815  -0.046  0.00  0.00    +0.403 C 
ATOM     21  O   LIG    1       -3.272   0.989   0.749  0.00  0.00    -0.226 OA
ATOM     22  C   LIG    1       -5.551   1.429  -2.033  0.00  0.00    +0.135 C 
BRANCH  20  23
ATOM     23  O   LIG    1       -4.989  -0.281  -0.056  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.794  -1.359   0.894  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1       -3.421  -2.018   0.713  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -5.880  -2.388   0.540  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -5.021  -0.886   2.333  0.00  0.00    +0.055 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 13