REMARK  Name = BDB014043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.400  -0.058   0.610  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.332  -1.420   0.499  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.043  -1.715   0.075  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1       -0.778  -3.067  -0.180  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -1.743  -3.980   0.063  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.937  -3.555   0.513  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -0.400  -0.451   0.034  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -3.326  -2.293   0.740  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1       -1.243   0.563   0.294  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.086  -0.078  -0.242  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1        1.487   1.230  -0.351  0.00  0.00    -0.350 N 
ATOM     12  H   LIG    1        0.842   2.002  -0.262  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        2.834   1.310  -0.605  0.00  0.00    +0.089 A 
ATOM     14  C   LIG    1        3.313  -0.004  -0.617  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.688  -0.227  -0.836  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.538   0.865  -1.048  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.039   2.165  -1.038  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.684   2.403  -0.815  0.00  0.00    +0.141 A 
ATOM     19  C   LIG    1        2.203  -0.866  -0.372  0.00  0.00    +0.038 A 
BRANCH  18  20
ATOM     20  O   LIG    1        3.262   3.709  -0.811  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        2.310   3.722  -0.633  0.00  0.00    +0.292 HD
ENDBRANCH  18  20
ENDBRANCH   7  10
BRANCH   1  23
ATOM     22  C   LIG    1       -3.296   1.507   2.294  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -3.566   0.721   1.011  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -4.037   1.640  -0.116  0.00  0.00    +0.032 C 
ENDBRANCH   1  23
BRANCH   4  25
ATOM     25  N   LIG    1        0.388  -3.568  -0.746  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        0.228  -4.530  -1.031  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        0.753  -2.975  -1.481  0.00  0.00    +0.144 HD
ENDBRANCH   4  25
TORSDOF 4