REMARK  Name = BDB005127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.074   0.402  -1.374  0.00  0.00    -0.328 N 
ATOM      2  H   LIG    1       -1.562   1.060  -1.976  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.914   0.154   1.588  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -3.531   0.365   1.402  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.031   0.261   0.088  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.652   0.489  -0.080  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -0.846   0.768   0.954  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -1.401   0.823   2.161  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -3.898  -0.069  -0.985  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.254  -0.277  -0.777  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -2.700   0.649   2.431  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -5.761  -0.160   0.507  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -4.824   0.545   4.015  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.261   0.587   4.924  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.821   0.686   3.929  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -5.583   0.240   2.925  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -6.788   0.045   3.053  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.373   0.637  -1.377  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.966   0.326  -2.768  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        2.403   0.852  -2.853  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1        3.277   0.119  -1.842  0.00  0.00    +0.039 C 
ATOM     22  N   LIG    1        4.016   0.853  -1.089  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        3.152  -1.368  -1.838  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        2.092  -1.937  -2.429  0.00  0.00    -0.025 C 
ATOM     25  C   LIG    1        0.963  -1.183  -3.079  0.00  0.00    +0.032 C 
BRANCH  22  26
ATOM     26  C   LIG    1        4.812   0.265  -0.030  0.00  0.00    +0.281 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.963  -0.038   1.145  0.00  0.00    +0.086 A 
ATOM     28  N   LIG    1        3.192   0.923   1.742  0.00  0.00    -0.277 N 
ATOM     29  H   LIG    1        3.119   1.899   1.478  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        2.464   0.468   2.780  0.00  0.00    -0.182 NA
ATOM     31  C   LIG    1        2.805  -0.820   2.855  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        3.736  -1.190   1.866  0.00  0.00    +0.048 A 
ENDBRANCH  26  27
BRANCH  26  33
ATOM     33  O   LIG    1        5.785   1.176   0.438  0.00  0.00    -0.366 OA
ATOM     34  H   LIG    1        5.839   1.818  -0.290  0.00  0.00    +0.212 HD
ENDBRANCH  26  33
ENDBRANCH  22  26
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7