REMARK Name = BDB002145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.126 1.256 0.978 0.00 0.00 -0.288 OA ATOM 2 C LIG 1 -0.536 0.137 0.668 0.00 0.00 +0.200 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.008 -0.101 0.579 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -2.557 -1.374 0.401 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -3.946 -1.532 0.328 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.802 -0.432 0.427 0.00 0.00 +0.127 A ATOM 7 C LIG 1 -4.258 0.837 0.622 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.869 1.000 0.695 0.00 0.00 +0.015 A BRANCH 6 9 ATOM 9 O LIG 1 -6.130 -0.734 0.338 0.00 0.00 -0.434 OA BRANCH 9 10 ATOM 10 C LIG 1 -7.020 0.354 0.151 0.00 0.00 +0.541 C ATOM 11 F LIG 1 -7.121 1.052 1.309 0.00 0.00 -0.166 F ATOM 12 F LIG 1 -8.249 -0.167 -0.096 0.00 0.00 -0.166 F ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 2 13 ATOM 13 C LIG 1 0.411 -1.027 0.386 0.00 0.00 +0.311 C BRANCH 13 14 ATOM 14 O LIG 1 1.771 -0.599 0.285 0.00 0.00 -0.456 OA BRANCH 14 15 ATOM 15 C LIG 1 2.072 0.024 -0.887 0.00 0.00 +0.311 C ATOM 16 O LIG 1 1.314 0.108 -1.846 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 C LIG 1 3.490 0.559 -0.890 0.00 0.00 +0.098 C ATOM 18 C LIG 1 4.518 -0.577 -0.961 0.00 0.00 +0.015 C ATOM 19 C LIG 1 5.543 -0.267 0.123 0.00 0.00 +0.001 C ATOM 20 C LIG 1 4.741 0.466 1.184 0.00 0.00 +0.001 C ATOM 21 C LIG 1 3.827 1.369 0.368 0.00 0.00 +0.015 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 2 13 TORSDOF 7