REMARK  Name = BDB057777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.434   1.562   0.247  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1       -0.736   2.238  -0.334  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -1.552   1.356  -1.277  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -2.081   0.084  -0.574  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -1.188  -0.292   0.627  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1        0.265   0.106   0.372  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.676   1.928  -0.451  0.00  0.00    +0.087 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.940   1.421   0.250  0.00  0.00    +0.056 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.196   1.932  -0.453  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  O   LIG    1        5.373   1.470   0.212  0.00  0.00    -0.492 OA
BRANCH  10  14
ATOM     11  C   LIG    1        7.270  -2.123  -0.726  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        6.051  -1.834  -1.347  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        5.377  -0.639  -1.064  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        5.920   0.276  -0.161  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        7.136  -0.021   0.462  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        7.812  -1.212   0.182  0.00  0.00    +0.022 A 
BRANCH  11  18
ATOM     17  N   LIG    1        8.508  -4.340  -1.257  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        7.955  -3.347  -1.018  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -3.610   0.133  -0.245  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.086  -1.210   0.338  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.353  -1.399   1.705  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.763  -2.642   2.196  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.907  -3.724   1.333  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.636  -3.567  -0.022  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.226  -2.326  -0.512  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.978   1.309   0.657  0.00  0.00    +0.026 C 
ATOM     27  C   LIG    1       -5.415   1.747   0.862  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -4.468   2.636   0.111  0.00  0.00    +0.007 C 
ENDBRANCH  19  26
BRANCH  19  29
ATOM     29  O   LIG    1       -4.292   0.313  -1.499  0.00  0.00    -0.383 OA
ATOM     30  H   LIG    1       -5.220   0.067  -1.341  0.00  0.00    +0.211 HD
ENDBRANCH  19  29
ENDBRANCH   4  19
TORSDOF 10