REMARK  Name = BDB061441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.604  -1.619  -2.891  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.268  -1.021  -2.647  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -0.562  -1.147  -1.468  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1        0.631  -0.489  -1.627  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1        0.580   0.036  -2.907  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        1.675   0.781  -3.347  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        2.742   0.931  -2.453  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.689   0.345  -1.179  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        1.628  -0.378  -0.729  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -0.597  -0.295  -3.525  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.795   0.481  -0.209  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        5.138   0.517  -0.603  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        6.130   0.654   0.357  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        5.874   0.735   1.671  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.590   0.682   2.058  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        3.537   0.568   1.165  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        7.473   0.677  -0.016  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        8.011   0.824   0.835  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        7.657   1.400  -0.702  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        4.348   0.787   3.427  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        3.772   0.021   3.758  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        5.254   0.806   3.887  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -0.939  -1.876  -0.273  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.296  -0.979   0.918  0.00  0.00    +0.025 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.607  -0.184   0.761  0.00  0.00    -0.009 C 
ATOM     26  C   LIG    1       -2.701   0.889   1.861  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.000   1.685   1.768  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.222   0.774   1.796  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.141  -0.301   0.718  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -3.842  -1.099   0.813  0.00  0.00    +0.003 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6