REMARK Name = BDB000279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.967 0.948 0.279 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.626 0.538 0.405 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.446 1.353 0.006 0.00 0.00 +0.073 A ATOM 4 N LIG 1 -1.772 0.929 0.181 0.00 0.00 -0.323 N ATOM 5 C LIG 1 -2.755 2.005 -0.001 0.00 0.00 +0.149 C ATOM 6 C LIG 1 -2.383 2.931 -1.163 0.00 0.00 +0.188 C ATOM 7 O LIG 1 -1.078 3.505 -0.995 0.00 0.00 -0.486 OA ATOM 8 C LIG 1 -2.500 2.279 -2.540 0.00 0.00 +0.053 C ATOM 9 C LIG 1 -0.135 2.617 -0.531 0.00 0.00 +0.142 A ATOM 10 C LIG 1 1.188 3.050 -0.645 0.00 0.00 +0.048 A ATOM 11 C LIG 1 2.233 2.219 -0.245 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 3.546 -0.985 -0.066 0.00 0.00 +0.056 A ATOM 13 C LIG 1 3.061 0.068 0.708 0.00 0.00 +0.043 A ATOM 14 C LIG 1 3.696 0.220 1.942 0.00 0.00 +0.129 A ATOM 15 N LIG 1 4.695 -0.568 2.367 0.00 0.00 -0.199 NA ATOM 16 C LIG 1 5.087 -1.538 1.544 0.00 0.00 +0.214 A ATOM 17 N LIG 1 4.544 -1.798 0.355 0.00 0.00 -0.219 NA BRANCH 14 18 ATOM 18 N LIG 1 3.359 1.260 2.815 0.00 0.00 -0.343 N ATOM 19 H LIG 1 3.890 1.136 3.672 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 2.360 1.326 2.970 0.00 0.00 +0.144 HD ENDBRANCH 14 18 BRANCH 16 21 ATOM 21 N LIG 1 6.099 -2.371 1.973 0.00 0.00 -0.327 N ATOM 22 H LIG 1 6.028 -3.263 1.505 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 6.141 -2.370 2.982 0.00 0.00 +0.145 HD ENDBRANCH 16 21 BRANCH 12 25 ATOM 24 C LIG 1 2.009 -2.467 -1.388 0.00 0.00 +0.010 C ATOM 25 C LIG 1 3.000 -1.313 -1.435 0.00 0.00 +0.053 C ENDBRANCH 12 25 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 -2.140 -0.416 -0.281 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 C LIG 1 -2.500 -1.319 0.902 0.00 0.00 +0.047 C BRANCH 27 28 ATOM 28 C LIG 1 -3.810 -0.932 1.585 0.00 0.00 +0.161 C BRANCH 28 29 ATOM 29 O LIG 1 -4.913 -0.925 0.677 0.00 0.00 -0.383 OA ATOM 30 C LIG 1 -5.459 -2.218 0.452 0.00 0.00 +0.193 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8