REMARK  Name = BDB052447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366  -0.248  -0.736  0.00  0.00    +0.193 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.047  -2.514  -0.784  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1       -0.484  -1.546  -0.038  0.00  0.00    -0.203 NA
ATOM      4  O   LIG    1       -2.133  -3.034  -0.505  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      5  C   LIG    1       -0.949  -3.679  -3.168  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -0.141  -3.024  -1.958  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.742  -4.064  -1.411  0.00  0.00    -0.129 NA
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        1.092   0.280  -0.579  0.00  0.00    +0.255 C 
ATOM      9  N   LIG    1        1.915  -0.307  -1.460  0.00  0.00    -0.203 NA
ATOM     10  O   LIG    1        1.410   1.130   0.251  0.00  0.00    -0.272 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.331   0.017  -1.320  0.00  0.00    +0.194 C 
ATOM     12  C   LIG    1        3.720   1.132  -2.387  0.00  0.00    +0.027 C 
BRANCH  11  13
ATOM     13  C   LIG    1        3.945   0.202   0.074  0.00  0.00    +0.275 C 
ATOM     14  O   LIG    1        4.858   0.967   0.387  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        3.612  -0.789   1.122  0.00  0.00    -0.087 NA
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1       -1.329   0.688  -0.119  0.00  0.00    +0.027 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.323   1.658   0.545  0.00  0.00    +0.028 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.298   2.614   1.258  0.00  0.00    +0.129 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -4.132   3.435   1.917  0.00  0.00    -0.234 NA
ATOM     20  C   LIG    1       -4.059   3.455   3.206  0.00  0.00    +0.284 C 
ATOM     21  N   LIG    1       -4.968   4.349   3.923  0.00  0.00    -0.104 NA
ATOM     22  N   LIG    1       -3.135   2.647   4.003  0.00  0.00    -0.104 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9