REMARK  Name = BDB065039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.634   0.563   1.047  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.280   0.249   0.802  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -0.541  -0.567   1.672  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.160  -1.076   2.809  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.497  -0.776   3.075  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.226   0.035   2.204  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.421   1.468   0.082  0.00  0.00    +0.141 C 
ATOM      8  O   LIG    1       -4.804   1.531   0.516  0.00  0.00    -0.439 OA
ATOM      9  C   LIG    1       -5.619   2.578   0.245  0.00  0.00    +0.401 C 
ATOM     10  O   LIG    1       -6.825   2.532   0.453  0.00  0.00    -0.226 OA
ATOM     11  N   LIG    1       -5.042   3.712  -0.241  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1       -5.707   4.443  -0.465  0.00  0.00    +0.152 HD
ATOM     13  C   LIG    1       -3.667   3.851  -0.615  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -2.802   2.874   0.142  0.00  0.00    +0.072 C 
BRANCH   7  16
ATOM     15  C   LIG    1       -4.030  -0.514  -1.467  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -3.420   0.882  -1.359  0.00  0.00    +0.050 C 
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  N   LIG    1        0.799  -0.820   1.331  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        1.155  -0.406   0.472  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        1.730  -1.579   2.015  0.00  0.00    +0.267 C 
ATOM     20  O   LIG    1        1.570  -2.183   3.068  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.063  -1.621   1.328  0.00  0.00    +0.129 A 
ATOM     22  N   LIG    1        3.152  -0.921   0.170  0.00  0.00    -0.227 NA
ATOM     23  C   LIG    1        4.340  -0.957  -0.457  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1        5.404  -1.634   0.021  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1        5.273  -2.317   1.178  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        6.473  -3.061   1.680  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        4.095  -2.341   1.883  0.00  0.00    +0.056 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.496  -0.195  -1.749  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        4.915  -0.919  -3.009  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        3.514  -0.402  -2.881  0.00  0.00    +0.012 C 
ENDBRANCH  23  28
ENDBRANCH  19  21
ENDBRANCH   3  17
TORSDOF 5