REMARK Name = BDB046386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.581 -1.025 -0.297 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.190 -0.946 -0.128 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.500 -1.915 0.612 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -1.210 -2.984 1.192 0.00 0.00 +0.162 A ATOM 5 C LIG 1 -2.596 -3.064 1.019 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -3.275 -2.093 0.280 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 O LIG 1 -0.462 -3.890 1.903 0.00 0.00 -0.491 OA ATOM 8 C LIG 1 -1.142 -4.992 2.487 0.00 0.00 +0.277 C ENDBRANCH 4 7 BRANCH 1 9 ATOM 9 C LIG 1 -3.314 0.032 -1.088 0.00 0.00 +0.050 C BRANCH 9 10 ATOM 10 C LIG 1 -3.414 1.386 -0.364 0.00 0.00 +0.102 C BRANCH 10 12 ATOM 11 C LIG 1 -4.372 2.678 1.614 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -4.327 1.347 0.874 0.00 0.00 +0.011 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 -3.839 2.434 -1.376 0.00 0.00 +0.308 C ATOM 14 O LIG 1 -3.082 3.294 -1.804 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.116 2.334 -1.803 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 -5.633 1.609 -1.408 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 3 17 ATOM 17 O LIG 1 0.856 -1.907 0.828 0.00 0.00 -0.488 OA BRANCH 17 18 ATOM 18 C LIG 1 1.621 -0.852 0.247 0.00 0.00 +0.234 C BRANCH 18 19 ATOM 19 C LIG 1 3.086 -1.074 0.623 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 3.986 -0.008 0.053 0.00 0.00 -0.044 A ATOM 21 C LIG 1 4.558 -0.166 -1.214 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.376 0.830 -1.751 0.00 0.00 +0.012 A ATOM 23 C LIG 1 5.629 2.009 -1.035 0.00 0.00 +0.055 A ATOM 24 C LIG 1 5.056 2.163 0.236 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.238 1.167 0.773 0.00 0.00 +0.004 A BRANCH 23 26 ATOM 26 C LIG 1 6.532 3.075 -1.604 0.00 0.00 +0.417 C ATOM 27 F LIG 1 6.224 4.329 -1.169 0.00 0.00 -0.166 F ATOM 28 F LIG 1 7.839 2.876 -1.276 0.00 0.00 -0.166 F ATOM 29 F LIG 1 6.495 3.137 -2.965 0.00 0.00 -0.166 F ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 11