REMARK  Name = BDB032040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.184   0.021  -0.301  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.124   0.080   0.015  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.953   0.026  -1.029  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.355   0.067  -1.006  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.835  -0.028  -2.330  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.698  -0.115  -3.158  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.695  -0.236  -4.586  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.001  -0.038  -2.691  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.567  -0.083  -2.344  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.234  -0.139  -2.586  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.651  -0.089  -1.568  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.144   0.159   0.208  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.978  -1.109   0.446  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -6.239  -0.813   1.248  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -5.987   0.235   2.177  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -5.799   1.500   1.538  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -5.038   1.400   0.218  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.043   0.065   0.795  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        0.481   0.144   1.630  0.00  0.00    +0.155 HD
BRANCH  18  26
ATOM     20  C   LIG    1        8.854   0.349   0.612  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        7.372   0.314   0.415  0.00  0.00    +0.057 A 
ATOM     22  N   LIG    1        6.586   0.210   1.511  0.00  0.00    -0.249 NA
ATOM     23  C   LIG    1        5.254   0.180   1.307  0.00  0.00    +0.090 A 
ATOM     24  C   LIG    1        4.701   0.253   0.012  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1        3.317   0.218  -0.136  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        2.435   0.122   0.951  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        3.000   0.036   2.240  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1        2.151  -0.093   3.477  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1        5.491   0.357  -1.077  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        4.398   0.072   2.392  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        6.824   0.386  -0.855  0.00  0.00    +0.134 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 3