REMARK  Name = BDB002477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.554  -1.330   1.818  0.00  0.00    +0.173 A 
ATOM      2  N   LIG    1        2.323  -0.732   0.908  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        3.273  -1.482   0.362  0.00  0.00    +0.224 A 
ATOM      4  N   LIG    1        3.476  -2.757   0.687  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1        2.665  -3.258   1.604  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1        1.681  -2.603   2.193  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.836  -4.584   1.950  0.00  0.00    -0.327 N 
ATOM      8  H   LIG    1        3.285  -5.089   1.199  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        1.972  -4.965   2.310  0.00  0.00    +0.145 HD
ENDBRANCH   5   7
BRANCH   3  10
ATOM     10  N   LIG    1        4.159  -0.971  -0.584  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        4.812  -1.695  -0.841  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        4.235   0.232  -1.304  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        5.401   0.533  -2.050  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        6.563  -0.422  -2.120  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1        5.495   1.750  -2.751  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.459   2.678  -2.711  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.320   2.401  -1.968  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.215   1.195  -1.270  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   1  19
ATOM     19  C   LIG    1        0.443  -0.519   2.437  0.00  0.00    +0.308 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.727  -0.631   1.619  0.00  0.00    -0.451 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.773   0.119   2.059  0.00  0.00    +0.376 C 
ATOM     22  O   LIG    1       -1.741   0.823   3.062  0.00  0.00    -0.241 OA
BRANCH  21  31
ATOM     23  C   LIG    1       -4.188   0.518   1.232  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.875   0.037   0.073  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -3.977  -0.783  -0.595  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1       -4.262  -1.458  -1.779  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -5.543  -1.276  -2.309  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.477  -0.455  -1.672  0.00  0.00    +0.001 A 
ATOM     29  O   LIG    1       -2.795  -0.828   0.070  0.00  0.00    -0.448 OA
ATOM     30  C   LIG    1       -6.158   0.210  -0.479  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -2.910  -0.031   1.179  0.00  0.00    +0.218 A 
BRANCH  23  32
ATOM     32  C   LIG    1       -4.748   1.424   2.276  0.00  0.00    +0.199 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -3.678   3.511   1.924  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -4.886   2.770   1.814  0.00  0.00    -0.378 OA
ENDBRANCH  32  34
ENDBRANCH  23  32
ENDBRANCH  21  31
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9