REMARK Name = BDB026262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.328 0.867 -0.548 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.040 -0.440 -0.962 0.00 0.00 +0.134 A ATOM 3 F LIG 1 2.026 -1.273 -1.334 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.267 -0.929 -1.025 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.348 -0.120 -0.678 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.077 1.215 -0.283 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.238 1.688 -0.207 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.683 -0.559 -0.684 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.191 -1.283 -1.863 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.116 -2.837 -1.759 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.887 -3.407 -2.962 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.624 -3.374 -0.461 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.438 -4.828 -0.378 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.945 -2.675 0.673 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.461 -3.135 2.046 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.137 -1.135 0.599 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 C LIG 1 4.892 0.897 0.179 0.00 0.00 +0.218 A ATOM 18 N LIG 1 3.610 0.511 0.072 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 2.711 1.363 -0.467 0.00 0.00 +0.079 A ATOM 20 C LIG 1 3.075 2.623 -0.892 0.00 0.00 +0.048 A ATOM 21 C LIG 1 4.397 2.945 -0.738 0.00 0.00 +0.116 A ATOM 22 N LIG 1 5.309 2.109 -0.215 0.00 0.00 -0.223 NA BRANCH 17 28 ATOM 23 C LIG 1 9.312 -0.800 -0.513 0.00 0.00 +0.039 C ATOM 24 C LIG 1 7.828 -0.992 -0.234 0.00 0.00 +0.133 C ATOM 25 O LIG 1 7.686 -2.219 0.511 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 6.522 -2.247 1.353 0.00 0.00 +0.179 C ATOM 27 C LIG 1 5.365 -1.379 0.837 0.00 0.00 +0.136 C ATOM 28 N LIG 1 5.800 0.019 0.743 0.00 0.00 -0.295 N ATOM 29 C LIG 1 7.231 0.232 0.496 0.00 0.00 +0.139 C ENDBRANCH 17 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.211 2.013 -0.007 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.078 1.492 -0.127 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.255 3.355 0.274 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.317 4.138 0.339 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.648 3.855 0.443 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.487 3.550 1.597 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.730 4.067 1.660 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.247 4.935 0.573 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.379 5.397 0.615 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.377 5.175 -0.461 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.723 5.782 -1.197 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.107 4.659 -0.530 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.928 2.697 2.692 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.740 2.658 3.780 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.720 3.128 3.127 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.777 1.411 2.286 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6