REMARK Name = BDB008134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.186 -0.430 0.527 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.249 -0.801 0.491 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.988 -1.172 0.073 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.915 -1.567 -0.858 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.442 0.016 1.392 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.409 -1.449 -0.299 0.00 0.00 +0.161 C BRANCH 6 9 ATOM 7 C LIG 1 -6.141 -2.037 2.254 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -5.043 -2.390 1.287 0.00 0.00 +0.211 C ATOM 9 N LIG 1 -4.619 -1.334 0.512 0.00 0.00 -0.304 N ATOM 10 H LIG 1 -4.779 -0.411 0.902 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -4.579 -3.523 1.213 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 -3.569 -0.801 -1.693 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -4.588 -1.572 -2.538 0.00 0.00 +0.009 C ATOM 14 C LIG 1 -3.955 0.681 -1.636 0.00 0.00 +0.009 C ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 0.406 0.696 -0.509 0.00 0.00 +0.234 C ATOM 16 N LIG 1 0.963 1.855 -0.012 0.00 0.00 -0.303 N ATOM 17 H LIG 1 1.395 1.817 0.903 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 0.134 0.548 -1.701 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 1.454 2.882 -0.922 0.00 0.00 +0.156 C ATOM 20 C LIG 1 1.399 4.254 -0.265 0.00 0.00 +0.038 C BRANCH 19 21 ATOM 21 C LIG 1 2.906 2.549 -1.322 0.00 0.00 +0.231 C ATOM 22 O LIG 1 3.652 1.823 -0.667 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 3.366 3.175 -2.448 0.00 0.00 -0.328 N ATOM 24 H LIG 1 2.719 3.507 -3.152 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 4.280 2.887 -2.775 0.00 0.00 +0.145 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 26 ATOM 26 C LIG 1 1.404 -1.362 0.575 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 2.542 -0.802 1.428 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 3.792 -1.675 1.352 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 4.870 -1.021 2.063 0.00 0.00 -0.356 N ATOM 30 H LIG 1 5.149 -1.488 2.920 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 5.935 -0.421 1.494 0.00 0.00 +0.188 C ATOM 32 N LIG 1 7.059 -0.410 2.118 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 7.758 0.055 1.538 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 5.759 0.133 0.281 0.00 0.00 -0.370 N ATOM 35 H LIG 1 4.849 0.577 0.143 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 6.482 0.779 -0.002 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13