REMARK Name = BDB047784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.721 -0.433 -2.689 0.00 0.00 -0.010 A ATOM 2 C LIG 1 0.041 -1.032 -1.617 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.190 -0.534 -1.139 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.763 0.596 -1.774 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -1.080 1.180 -2.859 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.139 0.672 -3.313 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.819 -1.210 0.012 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -2.289 -2.526 -0.099 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -2.884 -3.167 0.992 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.021 -2.512 2.218 0.00 0.00 +0.130 A ATOM 11 C LIG 1 -2.552 -1.205 2.342 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -1.954 -0.564 1.250 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 -3.621 -3.257 3.191 0.00 0.00 -0.406 OA BRANCH 13 14 ATOM 14 C LIG 1 -3.804 -2.660 4.462 0.00 0.00 +0.575 C ATOM 15 F LIG 1 -2.623 -2.318 5.019 0.00 0.00 -0.133 F ATOM 16 F LIG 1 -4.596 -1.569 4.380 0.00 0.00 -0.133 F ATOM 17 F LIG 1 -4.408 -3.554 5.277 0.00 0.00 -0.133 F ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 4 18 ATOM 18 C LIG 1 -3.057 1.176 -1.366 0.00 0.00 -0.017 A ATOM 19 C LIG 1 -4.253 0.461 -1.518 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -5.483 1.011 -1.135 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -5.540 2.295 -0.596 0.00 0.00 +0.130 A ATOM 22 C LIG 1 -4.354 3.018 -0.445 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -3.126 2.468 -0.827 0.00 0.00 +0.012 A BRANCH 21 24 ATOM 24 O LIG 1 -6.660 2.956 -0.182 0.00 0.00 -0.406 OA BRANCH 24 25 ATOM 25 C LIG 1 -7.904 2.292 -0.318 0.00 0.00 +0.575 C ATOM 26 F LIG 1 -8.166 2.006 -1.612 0.00 0.00 -0.133 F ATOM 27 F LIG 1 -7.935 1.157 0.411 0.00 0.00 -0.133 F ATOM 28 F LIG 1 -8.882 3.109 0.135 0.00 0.00 -0.133 F ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 4 18 BRANCH 1 29 ATOM 29 C LIG 1 2.026 -0.992 -3.210 0.00 0.00 +0.264 C BRANCH 29 30 ATOM 30 O LIG 1 2.786 -1.689 -2.219 0.00 0.00 -0.487 OA BRANCH 30 36 ATOM 31 C LIG 1 4.597 2.524 -0.284 0.00 0.00 +0.047 C ATOM 32 C LIG 1 4.623 1.030 -0.461 0.00 0.00 -0.005 A ATOM 33 C LIG 1 5.582 0.244 0.200 0.00 0.00 +0.124 A ATOM 34 C LIG 1 5.556 -1.143 0.056 0.00 0.00 +0.049 A ATOM 35 C LIG 1 4.602 -1.743 -0.769 0.00 0.00 +0.049 A ATOM 36 C LIG 1 3.665 -0.973 -1.456 0.00 0.00 +0.121 A ATOM 37 C LIG 1 3.669 0.411 -1.288 0.00 0.00 +0.052 A BRANCH 33 38 ATOM 38 O LIG 1 6.458 0.914 1.015 0.00 0.00 -0.481 OA BRANCH 38 39 ATOM 39 C LIG 1 7.752 0.330 1.182 0.00 0.00 +0.349 C BRANCH 39 40 ATOM 40 C LIG 1 7.850 -0.462 2.477 0.00 0.00 +0.343 C ATOM 41 O LIG 1 8.798 -1.176 2.770 0.00 0.00 -0.247 OA BRANCH 40 42 ATOM 42 O LIG 1 6.785 -0.286 3.296 0.00 0.00 -0.478 OA ATOM 43 H LIG 1 6.127 0.312 2.877 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 33 38 ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 13