REMARK Name = BDB026184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.882 0.241 -0.488 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.359 0.909 -0.362 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.419 2.307 -0.382 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.746 3.081 -0.535 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.965 2.400 -0.664 0.00 0.00 +0.134 A ATOM 6 F LIG 1 -3.108 3.079 -0.847 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.040 1.007 -0.635 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.099 -2.835 2.268 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.744 -2.322 0.869 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -2.871 -3.439 -0.110 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.242 -3.542 -0.613 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.909 -3.296 -1.228 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.553 -1.836 -1.577 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -0.895 -1.174 -0.427 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -1.324 -1.685 0.905 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 -0.684 4.549 -0.546 0.00 0.00 +0.077 A ATOM 17 N LIG 1 -1.554 5.184 0.275 0.00 0.00 -0.219 NA ATOM 18 C LIG 1 -1.513 6.531 0.298 0.00 0.00 +0.214 A ATOM 19 F LIG 1 -2.376 7.162 1.107 0.00 0.00 -0.184 F ATOM 20 C LIG 1 -0.640 7.296 -0.453 0.00 0.00 +0.059 A ATOM 21 C LIG 1 0.253 6.639 -1.288 0.00 0.00 +0.006 A ATOM 22 C LIG 1 0.234 5.247 -1.335 0.00 0.00 +0.028 A ENDBRANCH 4 16 BRANCH 2 23 ATOM 23 N LIG 1 1.486 0.074 -0.216 0.00 0.00 -0.280 N ATOM 24 H LIG 1 1.224 -0.911 -0.196 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 2.807 0.433 -0.155 0.00 0.00 +0.250 C ATOM 26 O LIG 1 3.284 1.554 -0.271 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 3.708 -0.742 0.014 0.00 0.00 +0.065 A ATOM 28 C LIG 1 3.778 -1.544 1.231 0.00 0.00 +0.073 A ATOM 29 C LIG 1 4.636 -2.583 1.284 0.00 0.00 +0.083 A ATOM 30 C LIG 1 5.500 -2.914 0.123 0.00 0.00 +0.249 A ATOM 31 O LIG 1 6.269 -3.864 0.157 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 5.373 -2.089 -0.966 0.00 0.00 -0.328 N ATOM 33 H LIG 1 5.976 -2.303 -1.753 0.00 0.00 +0.168 HD ATOM 34 C LIG 1 4.508 -1.025 -1.026 0.00 0.00 +0.099 A BRANCH 28 35 ATOM 35 C LIG 1 2.924 -1.164 2.400 0.00 0.00 +0.418 C ATOM 36 F LIG 1 3.035 0.146 2.725 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.240 -1.867 3.519 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.612 -1.412 2.157 0.00 0.00 -0.166 F ENDBRANCH 28 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 5