REMARK  Name = BDB016415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.175  -0.536   0.499  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        2.287  -1.339  -0.258  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.931  -0.988  -0.372  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.478   0.163   0.252  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1       -0.855   0.653   0.275  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -0.696   2.041   0.793  0.00  0.00    +0.116 C 
ATOM      7  C   LIG    1        0.602   2.076   1.621  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1        1.353   0.945   1.005  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        2.692   0.616   1.143  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.815   0.582  -0.780  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.202   0.432  -0.440  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1       -3.477   0.365   0.937  0.00  0.00    -0.338 N 
ATOM     13  H   LIG    1       -2.625   0.054   1.412  0.00  0.00    +0.146 HD
ATOM     14  C   LIG    1       -4.683  -0.238   1.470  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -5.894   0.584   1.101  0.00  0.00    +0.118 C 
ATOM     16  C   LIG    1       -6.387   0.353  -0.289  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -5.552   0.349  -1.355  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.080   0.267  -2.215  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -7.597   0.223  -0.504  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.776  -1.733   1.174  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -4.152   0.436  -1.480  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -3.706   0.508  -2.816  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.355   0.616  -3.136  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.412   0.662  -2.121  0.00  0.00    +0.025 A 
ENDBRANCH   5  10
BRANCH   1  26
ATOM     25  C   LIG    1        5.515  -0.171  -0.064  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1        4.606  -0.862   0.647  0.00  0.00    +0.014 C 
BRANCH  25  28
ATOM     27  C   LIG    1        7.836   0.660  -0.478  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        6.880  -0.347  -0.084  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1        7.191  -0.985   0.664  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1        5.025  -1.966   1.562  0.00  0.00    +0.111 C 
ATOM     31  N   LIG    1        6.230  -2.173   1.988  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1        6.237  -2.998   2.600  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        2.732  -2.533  -0.919  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        3.069  -3.514  -1.439  0.00  0.00    -0.191 NA
ENDBRANCH   2  33
TORSDOF 5