REMARK Name = BDB027257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.369 -0.508 -0.696 0.00 0.00 +0.071 A ATOM 2 N LIG 1 0.748 -1.608 -0.215 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 -0.606 -1.626 -0.234 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.428 -0.605 -0.719 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.768 0.520 -1.236 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.640 0.559 -1.217 0.00 0.00 +0.035 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.689 -0.576 -0.518 0.00 0.00 +0.034 A ATOM 8 C LIG 1 4.990 0.622 -0.346 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.590 0.651 -0.402 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.844 -0.517 -0.630 0.00 0.00 +0.000 A ATOM 11 C LIG 1 3.564 -1.714 -0.785 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.965 -1.746 -0.734 0.00 0.00 +0.024 A BRANCH 7 14 ATOM 13 C LIG 1 7.984 -1.553 -0.646 0.00 0.00 +0.241 C ATOM 14 N LIG 1 7.096 -0.521 -0.444 0.00 0.00 -0.282 N ATOM 15 H LIG 1 7.492 0.392 -0.267 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 7.735 -2.697 -1.002 0.00 0.00 -0.271 OA BRANCH 13 18 ATOM 17 C LIG 1 9.865 -0.282 0.433 0.00 0.00 +0.013 C ATOM 18 C LIG 1 9.413 -1.167 -0.465 0.00 0.00 +0.060 C ENDBRANCH 13 18 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 19 ATOM 19 N LIG 1 -2.829 -0.681 -0.730 0.00 0.00 -0.327 N ATOM 20 C LIG 1 -3.486 -1.059 0.543 0.00 0.00 +0.127 C ATOM 21 C LIG 1 -4.459 -2.282 0.449 0.00 0.00 +0.038 C ATOM 22 C LIG 1 -3.893 -3.314 -0.549 0.00 0.00 +0.025 C ATOM 23 C LIG 1 -3.538 -2.746 -1.925 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -3.380 -1.230 -1.972 0.00 0.00 +0.105 C BRANCH 21 25 ATOM 25 N LIG 1 -5.802 -1.868 0.013 0.00 0.00 -0.323 NA ATOM 26 H LIG 1 -5.800 -1.478 -0.925 0.00 0.00 +0.119 HD ATOM 27 H LIG 1 -6.439 -2.666 -0.008 0.00 0.00 +0.119 HD ENDBRANCH 21 25 BRANCH 21 28 ATOM 28 C LIG 1 -4.582 -2.965 1.837 0.00 0.00 +0.095 C BRANCH 28 29 ATOM 29 C LIG 1 -5.204 -2.117 2.934 0.00 0.00 +0.343 C ATOM 30 F LIG 1 -6.552 -2.075 2.795 0.00 0.00 -0.209 F ATOM 31 F LIG 1 -4.973 -2.726 4.128 0.00 0.00 -0.209 F ENDBRANCH 28 29 ENDBRANCH 21 28 ENDBRANCH 4 19 BRANCH 5 32 ATOM 32 C LIG 1 -1.514 1.726 -1.752 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -1.711 2.711 -0.707 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -0.869 3.743 -0.396 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -1.507 4.422 0.630 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -0.844 5.546 1.150 0.00 0.00 +0.147 A ATOM 37 N LIG 1 0.363 5.879 0.637 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 0.859 5.130 -0.371 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.711 3.821 0.945 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 0.318 4.040 -0.954 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -2.804 2.805 0.113 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -1.359 6.325 2.178 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -2.065 5.847 2.728 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -0.637 6.831 2.673 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10