REMARK Name = BDB057138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.512 -0.388 -0.075 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.962 -0.717 -0.286 0.00 0.00 -0.034 A ATOM 3 C LIG 1 -1.777 0.174 -1.001 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.137 -0.094 -1.189 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -3.723 -1.259 -0.673 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.910 -2.146 0.045 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.548 -1.884 0.236 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 -5.149 -1.542 -0.886 0.00 0.00 -0.017 A ATOM 9 C LIG 1 -6.139 -0.686 -0.373 0.00 0.00 +0.021 A ATOM 10 C LIG 1 -7.505 -0.937 -0.588 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -7.879 -2.075 -1.321 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.909 -2.933 -1.839 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.556 -2.668 -1.623 0.00 0.00 +0.008 A BRANCH 10 14 ATOM 14 C LIG 1 -8.556 -0.022 -0.010 0.00 0.00 +0.417 C ATOM 15 F LIG 1 -9.646 0.113 -0.818 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -9.031 -0.468 1.185 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -8.104 1.244 0.212 0.00 0.00 -0.166 F ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 S LIG 1 1.569 -1.729 -0.791 0.00 0.00 -0.117 S BRANCH 18 24 ATOM 19 C LIG 1 5.055 1.879 -2.467 0.00 0.00 +0.047 C ATOM 20 C LIG 1 4.744 0.734 -1.541 0.00 0.00 -0.008 A ATOM 21 C LIG 1 5.717 0.234 -0.658 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.417 -0.863 0.154 0.00 0.00 +0.047 A ATOM 23 C LIG 1 4.150 -1.448 0.108 0.00 0.00 +0.018 A ATOM 24 C LIG 1 3.168 -0.946 -0.747 0.00 0.00 +0.009 A ATOM 25 C LIG 1 3.475 0.133 -1.579 0.00 0.00 +0.021 A BRANCH 21 26 ATOM 26 O LIG 1 6.954 0.825 -0.709 0.00 0.00 -0.481 OA BRANCH 26 27 ATOM 27 C LIG 1 7.728 0.803 0.491 0.00 0.00 +0.349 C BRANCH 27 28 ATOM 28 C LIG 1 8.720 -0.351 0.489 0.00 0.00 +0.343 C ATOM 29 O LIG 1 9.332 -0.736 1.475 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 8.882 -0.911 -0.734 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 8.282 -0.484 -1.386 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 18 24 ENDBRANCH 1 18 BRANCH 1 32 ATOM 32 C LIG 1 0.844 -0.144 1.416 0.00 0.00 +0.054 C BRANCH 32 33 ATOM 33 C LIG 1 0.166 1.090 1.978 0.00 0.00 -0.040 A ATOM 34 C LIG 1 -0.946 0.971 2.826 0.00 0.00 +0.045 A ATOM 35 C LIG 1 -1.580 2.113 3.313 0.00 0.00 +0.162 A ATOM 36 F LIG 1 -2.643 1.978 4.118 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -1.125 3.377 2.968 0.00 0.00 +0.193 A ATOM 38 F LIG 1 -1.743 4.470 3.437 0.00 0.00 -0.199 F ATOM 39 C LIG 1 -0.026 3.502 2.130 0.00 0.00 +0.162 A ATOM 40 F LIG 1 0.416 4.717 1.773 0.00 0.00 -0.202 F ATOM 41 C LIG 1 0.621 2.373 1.631 0.00 0.00 +0.045 A ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 11