REMARK  Name = BDB050170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.387   0.190   0.276  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -1.135   0.334   1.034  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.107   1.144   0.220  0.00  0.00    +0.011 C 
ATOM      4  C   LIG    1       -0.753   2.375  -0.453  0.00  0.00    +0.007 C 
ATOM      5  C   LIG    1       -2.136   2.669   0.111  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -3.054   1.458  -0.062  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.751  -1.967   1.129  0.00  0.00    -0.273 NA
ATOM      8  H   LIG    1       -3.443  -2.711   1.059  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -3.094  -0.979   0.378  0.00  0.00    +0.173 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -4.198  -1.057  -0.399  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1       -4.054  -0.637  -1.308  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -4.575  -1.989  -0.499  0.00  0.00    +0.145 HD
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        0.609   0.284  -0.844  0.00  0.00    +0.044 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.579  -0.714  -0.270  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1        2.847  -0.345   0.148  0.00  0.00    +0.169 A 
ATOM     16  O   LIG    1        3.373   0.911   0.098  0.00  0.00    -0.452 OA
ATOM     17  C   LIG    1        4.684   0.683   0.653  0.00  0.00    +0.466 C 
ATOM     18  O   LIG    1        4.921  -0.689   1.026  0.00  0.00    -0.453 OA
ATOM     19  C   LIG    1        3.734  -1.256   0.680  0.00  0.00    +0.167 A 
ATOM     20  C   LIG    1        3.410  -2.587   0.830  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        2.138  -2.993   0.424  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.231  -2.067  -0.122  0.00  0.00    +0.007 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4