REMARK  Name = BDB051014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.175   0.833  -0.596  0.00  0.00    +0.213 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.379   0.549   0.149  0.00  0.00    -0.215 N 
ATOM      3  C   LIG    1        2.553   0.114  -0.404  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1        2.784   0.007  -1.601  0.00  0.00    -0.272 OA
ATOM      5  C   LIG    1        3.510  -0.225   0.747  0.00  0.00    +0.138 C 
ATOM      6  C   LIG    1        4.819   0.503   0.710  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        5.838  -0.358   0.279  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        7.141   0.088   0.136  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        7.423   1.419   0.448  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        6.408   2.283   0.885  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.295  -1.720  -0.031  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        5.093   1.829   1.015  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.950  -1.697   0.715  0.00  0.00    +0.045 C 
ATOM     14  N   LIG    1        2.694   0.101   1.883  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        2.964   0.011   2.852  0.00  0.00    +0.152 HD
ATOM     16  C   LIG    1        1.441   0.522   1.508  0.00  0.00    +0.310 C 
ATOM     17  O   LIG    1        0.555   0.823   2.291  0.00  0.00    -0.252 OA
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  N   LIG    1       -1.943  -0.351  -1.259  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -0.649  -0.458  -0.734  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1       -0.158  -1.548  -0.421  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.520  -1.702  -2.693  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -2.736  -1.596  -1.382  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.659  -1.772  -0.199  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -3.927  -3.149   0.360  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.124  -2.162   1.158  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
BRANCH  18  26
ATOM     26  C   LIG    1       -2.557   0.936  -1.619  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.552   1.479  -0.620  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.764   2.021  -1.078  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.690   2.559  -0.181  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.414   2.571   1.183  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.212   2.048   1.652  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.284   1.510   0.757  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 6