REMARK  Name = BDB000115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.377   0.200  -0.383  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        4.725   0.724  -0.943  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        5.058  -0.005   0.934  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1        3.727   0.101   1.235  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1        2.614   0.329   0.275  0.00  0.00    +0.150 C 
ATOM      6  C   LIG    1        1.450   0.267   1.166  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.829   0.008   2.480  0.00  0.00    +0.087 A 
ATOM      8  N   LIG    1        0.810  -0.058   3.329  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1       -0.248   0.166   2.511  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -1.174   0.161   2.922  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1        0.087   0.379   1.184  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        3.286  -0.135   2.633  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1        5.901  -0.281   1.783  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1       -0.876   0.632   0.228  0.00  0.00    -0.270 N 
ATOM     15  H   LIG    1       -1.848   0.642   0.519  0.00  0.00    +0.156 HD
ATOM     16  C   LIG    1       -0.589   0.814  -1.115  0.00  0.00    +0.223 C 
ATOM     17  O   LIG    1        0.540   0.812  -1.607  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.798   1.103  -2.000  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.110   0.529  -1.523  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -4.106   1.355  -1.000  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.301   0.807  -0.515  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.554  -0.573  -0.533  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.538  -1.381  -1.066  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -3.339  -0.848  -1.556  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -6.725  -1.103  -0.045  0.00  0.00    -0.330 N 
ATOM     26  C   LIG    1       -7.019  -2.533   0.014  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -8.326  -2.603   0.798  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -9.032  -1.322   0.393  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -7.894  -0.306   0.324  0.00  0.00    +0.105 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  11  14
BRANCH   1  30
ATOM     30  C   LIG    1        6.753   0.170  -0.838  0.00  0.00    +0.106 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.466   1.493  -0.558  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        9.840   0.561  -0.521  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        8.876   1.557  -1.148  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 7