REMARK Name = BDB000440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.278 -1.570 0.745 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -5.735 -0.174 0.494 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -4.316 -0.666 0.499 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -3.481 0.199 1.214 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.119 -0.043 1.327 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -1.592 -1.187 0.723 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -2.440 -2.063 0.022 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.243 1.373 1.743 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -3.807 -1.805 -0.100 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.692 0.872 1.631 0.00 0.00 +0.013 C BRANCH 2 11 ATOM 11 C LIG 1 -6.218 0.353 -0.857 0.00 0.00 +0.128 C BRANCH 11 13 ATOM 12 O LIG 1 -4.438 1.499 -2.031 0.00 0.00 -0.251 OA ATOM 13 C LIG 1 -5.469 1.556 -1.381 0.00 0.00 +0.305 C BRANCH 13 14 ATOM 14 O LIG 1 -6.053 2.735 -1.064 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -6.891 2.656 -0.573 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 0.660 -0.622 1.249 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 2.069 -1.170 1.056 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 2.386 -1.434 -0.415 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 3.738 -1.877 -0.560 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 4.723 -0.948 -0.742 0.00 0.00 +0.121 A ATOM 21 C LIG 1 5.988 -1.490 -0.983 0.00 0.00 +0.046 A ATOM 22 C LIG 1 7.096 -0.662 -1.183 0.00 0.00 +0.016 A ATOM 23 C LIG 1 6.956 0.731 -1.135 0.00 0.00 +0.055 A ATOM 24 C LIG 1 5.684 1.271 -0.897 0.00 0.00 +0.016 A ATOM 25 C LIG 1 4.576 0.437 -0.697 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 8.142 1.633 -1.372 0.00 0.00 +0.417 C ATOM 27 F LIG 1 8.059 2.812 -0.694 0.00 0.00 -0.166 F ATOM 28 F LIG 1 8.286 1.967 -2.684 0.00 0.00 -0.166 F ATOM 29 F LIG 1 9.326 1.074 -0.996 0.00 0.00 -0.166 F ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10