REMARK  Name = BDB059702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.175   0.246   2.087  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.456   1.075   2.963  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.130   0.783   3.293  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.497  -0.332   2.739  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        0.210  -1.181   1.885  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.537  -0.887   1.555  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.453   0.347   0.836  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1        5.497   1.475   1.604  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1        4.244   1.602   2.195  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1        3.560   0.541   1.734  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1        4.289  -0.260   0.880  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1        6.690  -0.002   0.076  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1        7.844  -0.325   1.024  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1        8.133   2.147  -2.702  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        7.821   0.896  -1.926  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1        7.032   1.097  -0.820  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1        6.827   2.043  -0.524  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        8.252  -0.203  -2.257  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  O   LIG    1       -1.792  -0.581   3.132  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.696  -0.915   2.150  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -3.546  -1.988   2.407  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -4.507  -2.352   1.462  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.629  -1.645   0.261  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -3.797  -0.550   0.025  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -2.834  -0.181   0.970  0.00  0.00    +0.050 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.614  -2.102  -0.570  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.605  -1.663  -1.932  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.359  -0.371  -2.157  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1       -6.005   0.464  -3.228  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -6.706   1.647  -3.468  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.775   2.003  -2.648  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.147   1.175  -1.591  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.447  -0.008  -1.350  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8