REMARK  Name = BDB064752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.653   2.133   0.529  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.246   3.473   0.439  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        1.102   3.820   0.543  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.063   2.829   0.747  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        1.688   1.484   0.844  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.328   1.152   0.752  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.950   2.147  -0.425  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -2.054   1.685   0.460  0.00  0.00    +0.016 C 
BRANCH   7  10
ATOM      9  O   LIG    1       -5.252   2.443  -0.166  0.00  0.00    -0.271 OA
ATOM     10  C   LIG    1       -4.345   1.651  -0.409  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1       -4.552   0.310  -0.698  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1       -3.535  -0.584  -1.259  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -4.149  -1.650  -2.161  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.200  -2.486  -1.431  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -5.924  -1.710  -0.331  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -5.913  -0.208  -0.586  0.00  0.00    +0.108 C 
ENDBRANCH   7  10
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  O   LIG    1       -1.177   4.460   0.265  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -0.744   5.326   0.328  0.00  0.00    +0.292 HD
ENDBRANCH   2  17
BRANCH   5  19
ATOM     19  C   LIG    1        2.665   0.416   1.097  0.00  0.00    +0.008 C 
ATOM     20  C   LIG    1        3.876   0.363   0.519  0.00  0.00    +0.009 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.851  -0.707   0.774  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        6.205  -0.369   0.912  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        7.152  -1.369   1.129  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        6.777  -2.704   1.200  0.00  0.00    +0.090 A 
ATOM     25  C   LIG    1        5.438  -3.039   1.048  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.473  -2.057   0.832  0.00  0.00    +0.053 A 
BRANCH  23  27
ATOM     27  O   LIG    1        8.476  -1.071   1.278  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1        8.591  -0.109   1.219  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
BRANCH  25  29
ATOM     29  O   LIG    1        5.103  -4.361   1.111  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1        4.145  -4.449   0.980  0.00  0.00    +0.292 HD
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   5  19
TORSDOF 7