REMARK  Name = BDB053191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366   3.269   0.454  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.125   1.570   1.152  0.00  0.00    +0.182 A 
ATOM      3  N   LIG    1       -1.115   2.475   1.418  0.00  0.00    -0.324 N 
ATOM      4  C   LIG    1       -0.937   2.530   2.777  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -1.834   1.631   3.293  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -2.555   1.044   2.290  0.00  0.00    -0.233 NA
BRANCH   2   7
ATOM      7  C   LIG    1       -2.626   1.201  -0.168  0.00  0.00    +0.228 C 
ATOM      8  O   LIG    1       -2.127   1.619  -1.215  0.00  0.00    -0.283 OA
BRANCH   7  13
ATOM      9  C   LIG    1       -7.088  -2.449  -0.896  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -5.955  -1.484  -0.709  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -4.902  -1.440  -1.629  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.830  -0.565  -1.436  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.784   0.267  -0.307  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -4.838   0.225   0.612  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -5.910  -0.653   0.417  0.00  0.00    +0.004 A 
ENDBRANCH   7  13
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.811   2.576  -0.179  0.00  0.00    -0.005 C 
ATOM     17  C   LIG    1        1.334   1.383   0.153  0.00  0.00    +0.005 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.480   0.782  -0.542  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        3.476   0.145   0.210  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        4.571  -0.465  -0.413  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        4.666  -0.447  -1.804  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.669   0.171  -2.564  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.580   0.777  -1.937  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  O   LIG    1        5.469  -1.039   0.446  0.00  0.00    -0.481 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.610  -1.669  -0.144  0.00  0.00    +0.349 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.481  -2.234   0.965  0.00  0.00    +0.343 C 
ATOM     27  O   LIG    1        8.535  -2.823   0.773  0.00  0.00    -0.247 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.976  -2.024   2.206  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        6.127  -1.535   2.133  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   1  16
TORSDOF 9