REMARK  Name = BDB001363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.982   1.921   0.344  0.00  0.00    -0.269 N 
ATOM      2  C   LIG    1        0.746   0.701  -0.427  0.00  0.00    +0.157 C 
ATOM      3  C   LIG    1        1.132   1.133  -1.833  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.559   2.460  -1.814  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.978   3.128  -2.949  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.970   2.420  -4.152  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.548   1.079  -4.191  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.127   0.423  -3.028  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.464   2.959  -0.439  0.00  0.00    +0.249 C 
ATOM     10  O   LIG    1        1.733   4.097  -0.103  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.753   0.310  -0.325  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -1.208  -0.606   0.643  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.564  -0.949   0.753  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.532  -0.380  -0.085  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -3.084   0.562  -1.026  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.731   0.907  -1.137  0.00  0.00    +0.008 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.027  -0.730   0.009  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -5.519  -1.279  -1.348  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -5.352  -1.799   1.077  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.834   0.536   0.368  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
ENDBRANCH   2  11
BRANCH   2  21
ATOM     21  N   LIG    1        1.588  -0.424  -0.041  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.140  -1.324  -0.053  0.00  0.00    +0.152 HD
ATOM     23  C   LIG    1        2.962  -0.394   0.015  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        3.650   0.613  -0.087  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.629  -1.703   0.249  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.148  -2.895  -0.307  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        3.810  -4.099  -0.054  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.954  -4.114   0.745  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.446  -2.926   1.285  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.789  -1.721   1.034  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
BRANCH   1  31
ATOM     31  C   LIG    1        0.782   2.061   1.777  0.00  0.00    +0.110 C 
BRANCH  31  33
ATOM     32  C   LIG    1        1.827   2.042   4.068  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1        2.029   1.727   2.594  0.00  0.00    +0.016 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 6