REMARK  Name = BDB009052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.123   0.843   1.609  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.462   1.374   0.492  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.689   2.169   0.631  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.151   2.459   1.919  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.498   1.939   3.035  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.632   1.131   2.881  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.059  -0.614   2.270  0.00  0.00    +0.252 C 
ATOM      8  N   LIG    1        2.254   0.042   1.361  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.501  -0.091   0.386  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.917  -0.591   3.489  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        4.380  -1.706   0.328  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1        4.207  -1.408   1.697  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        5.152  -1.888   2.624  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        6.254  -2.635   2.210  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.428  -2.913   0.860  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.499  -2.450  -0.076  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        3.444  -1.229  -0.558  0.00  0.00    -0.491 OA
BRANCH  17  19
ATOM     18  C   LIG    1        2.179  -1.275  -2.573  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        3.425  -1.789  -1.873  0.00  0.00    +0.226 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -1.375   2.734  -0.591  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.887   2.525  -0.603  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.449   1.210  -1.048  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.546   0.079  -1.450  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.271  -1.264  -1.588  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.609  -1.100  -2.297  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.514  -0.128  -1.538  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.789   1.104  -1.072  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.635   2.243  -0.634  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -6.860   2.175  -0.628  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.965   3.369  -0.240  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -5.525   4.160   0.061  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.616   3.533  -0.225  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6