REMARK  Name = BDB052459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428   0.994  -0.765  0.00  0.00    +0.193 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.039  -0.722  -1.212  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -0.775  -0.285  -1.421  0.00  0.00    -0.203 NA
ATOM      4  O   LIG    1       -2.976  -0.063  -0.747  0.00  0.00    -0.272 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -2.201  -2.226  -1.661  0.00  0.00    +0.192 C 
ATOM      6  C   LIG    1       -3.019  -2.355  -3.036  0.00  0.00    +0.027 C 
BRANCH   5   9
ATOM      7  C   LIG    1       -1.232  -4.596   0.107  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1       -2.240  -3.428   0.316  0.00  0.00    +0.242 C 
ATOM      9  N   LIG    1       -2.981  -3.003  -0.687  0.00  0.00    -0.204 NA
ATOM     10  O   LIG    1       -2.367  -3.256   1.522  0.00  0.00    -0.273 OA
ENDBRANCH   5   9
ENDBRANCH   2   5
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        0.855   1.600  -1.425  0.00  0.00    +0.255 C 
ATOM     12  N   LIG    1        0.773   2.941  -1.546  0.00  0.00    -0.203 NA
ATOM     13  O   LIG    1        1.852   0.939  -1.725  0.00  0.00    -0.272 OA
BRANCH  12  14
ATOM     14  C   LIG    1        1.960   3.494  -2.192  0.00  0.00    +0.194 C 
ATOM     15  C   LIG    1        1.649   5.028  -2.533  0.00  0.00    +0.027 C 
BRANCH  14  16
ATOM     16  C   LIG    1        3.244   3.403  -1.350  0.00  0.00    +0.275 C 
ATOM     17  O   LIG    1        4.393   3.483  -1.798  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        3.171   3.394   0.127  0.00  0.00    -0.087 NA
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   1  19
ATOM     19  C   LIG    1       -0.135   0.727   0.662  0.00  0.00    +0.027 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.121   0.332   2.126  0.00  0.00    +0.028 C 
BRANCH  20  21
ATOM     21  C   LIG    1        0.337  -0.191   3.558  0.00  0.00    +0.129 C 
BRANCH  21  22
ATOM     22  N   LIG    1        0.501  -0.731   4.777  0.00  0.00    -0.234 NA
ATOM     23  C   LIG    1        0.564  -2.021   4.842  0.00  0.00    +0.284 C 
ATOM     24  N   LIG    1        0.516  -2.926   3.697  0.00  0.00    -0.104 NA
ATOM     25  N   LIG    1        0.727  -2.617   6.170  0.00  0.00    -0.104 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10