REMARK  Name = BDB014749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.430   0.107  -0.495  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.298   1.065  -0.200  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.471   4.063   1.989  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.608   3.378   1.272  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.300   2.242   0.533  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.907   1.877   0.197  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.823   0.468  -0.269  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.705  -0.351  -0.584  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -2.111  -1.565  -0.972  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -3.455  -1.536  -0.897  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1       -3.927  -0.326  -0.496  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -5.331   0.098  -0.290  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.377   1.639  -0.280  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -5.752   3.824   1.368  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -4.213  -2.732  -1.239  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.463  -3.597  -0.039  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -5.741  -3.486   0.755  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.494  -4.696  -0.103  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.815  -0.533  -0.700  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        1.989   0.242  -0.627  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        3.269  -0.309  -0.828  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        3.360  -1.678  -1.113  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        2.211  -2.462  -1.198  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        0.952  -1.891  -0.997  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.476   0.529  -0.743  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        5.527   0.198   0.129  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.686   0.989   0.223  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1        6.786   2.135  -0.576  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        5.755   2.479  -1.448  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.611   1.683  -1.530  0.00  0.00    +0.008 A 
BRANCH  27  31
ATOM     31  C   LIG    1        7.808   0.616   1.168  0.00  0.00    +0.141 C 
ATOM     32  C   LIG    1        7.407   0.731   2.632  0.00  0.00    +0.043 C 
BRANCH  31  33
ATOM     33  O   LIG    1        8.238  -0.720   0.911  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1        8.112  -0.884  -0.039  0.00  0.00    +0.210 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  19
TORSDOF 7