REMARK  Name = BDB051869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.160  -0.347   1.148  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        3.044   0.711   1.388  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1        2.925   1.889   1.103  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        4.229   0.169   2.087  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.996  -1.204   2.252  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.905  -2.030   2.895  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        6.073  -1.459   3.388  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        6.311  -0.084   3.227  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.393   0.763   2.566  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        2.685  -1.595   1.663  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.664  -0.171  -0.804  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.141  -1.370  -0.311  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        0.109  -1.422   0.330  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.897  -0.275   0.495  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.388   0.920  -0.013  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -0.862   0.967  -0.650  0.00  0.00    +0.025 A 
BRANCH  11  21
ATOM     17  C   LIG    1       -6.867   0.195  -3.040  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1       -5.759  -0.112  -2.139  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1       -4.776  -0.996  -2.804  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -3.562  -1.315  -1.901  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1       -2.900  -0.070  -1.458  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -3.852   0.862  -0.802  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.074   1.129  -1.714  0.00  0.00    +0.103 C 
ENDBRANCH  11  21
ENDBRANCH   1  14
BRANCH   9  24
ATOM     24  C   LIG    1        5.796   2.195   2.470  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        6.719   2.631   3.152  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        5.160   3.026   1.602  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        4.254   2.800   1.193  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        5.390   4.009   1.661  0.00  0.00    +0.145 HD
ENDBRANCH   9  24
TORSDOF 3