REMARK Name = BDB046380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.813 -1.381 -0.013 0.00 0.00 -0.046 A ATOM 2 C LIG 1 -1.598 -1.724 -0.619 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -0.587 -2.384 0.102 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -0.804 -2.716 1.452 0.00 0.00 +0.123 A ATOM 5 C LIG 1 -2.021 -2.383 2.053 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.016 -1.721 1.327 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 O LIG 1 0.228 -3.357 2.084 0.00 0.00 -0.495 OA ATOM 8 C LIG 1 0.031 -3.741 3.438 0.00 0.00 +0.277 C ENDBRANCH 4 7 BRANCH 1 9 ATOM 9 C LIG 1 -3.878 -0.645 -0.791 0.00 0.00 +0.049 C BRANCH 9 10 ATOM 10 C LIG 1 -3.543 0.842 -1.026 0.00 0.00 +0.102 C BRANCH 10 12 ATOM 11 C LIG 1 -3.176 3.109 0.089 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -3.668 1.677 0.259 0.00 0.00 +0.011 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 -4.500 1.369 -2.080 0.00 0.00 +0.308 C ATOM 14 O LIG 1 -5.693 1.106 -2.123 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -3.914 2.189 -2.981 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 -2.965 2.352 -2.826 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 3 17 ATOM 17 C LIG 1 0.720 -2.705 -0.591 0.00 0.00 +0.039 C BRANCH 17 18 ATOM 18 C LIG 1 1.862 -1.748 -0.229 0.00 0.00 +0.009 C BRANCH 18 19 ATOM 19 C LIG 1 1.620 -0.319 -0.724 0.00 0.00 +0.035 C BRANCH 19 20 ATOM 20 C LIG 1 2.799 0.578 -0.438 0.00 0.00 -0.047 A ATOM 21 C LIG 1 2.926 1.201 0.809 0.00 0.00 +0.004 A ATOM 22 C LIG 1 4.023 2.022 1.083 0.00 0.00 +0.012 A ATOM 23 C LIG 1 5.019 2.225 0.117 0.00 0.00 +0.055 A ATOM 24 C LIG 1 4.888 1.601 -1.132 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.791 0.781 -1.405 0.00 0.00 +0.004 A BRANCH 23 26 ATOM 26 C LIG 1 6.193 3.129 0.404 0.00 0.00 +0.417 C ATOM 27 F LIG 1 6.542 3.153 1.721 0.00 0.00 -0.166 F ATOM 28 F LIG 1 5.945 4.423 0.060 0.00 0.00 -0.166 F ATOM 29 F LIG 1 7.322 2.772 -0.271 0.00 0.00 -0.166 F ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 11