REMARK Name = BDB027288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.189 1.056 -0.291 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.914 1.001 -1.161 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.192 1.378 -0.689 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.374 1.771 0.633 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.335 1.807 1.490 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.114 1.443 1.020 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.685 2.153 1.194 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.768 3.114 2.221 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.998 3.483 2.759 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.041 4.407 3.729 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.170 2.904 2.296 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.353 3.261 2.813 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.125 1.946 1.292 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.891 1.572 0.747 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.594 0.601 0.706 0.00 0.00 +0.092 C ATOM 16 C LIG 1 2.333 -0.126 0.166 0.00 0.00 +0.134 C ATOM 17 N LIG 1 1.478 0.730 -0.684 0.00 0.00 -0.326 N ATOM 18 C LIG 1 2.131 1.467 -1.769 0.00 0.00 +0.105 C ATOM 19 C LIG 1 3.356 2.221 -1.267 0.00 0.00 +0.021 C ATOM 20 C LIG 1 4.297 1.310 -0.479 0.00 0.00 +0.033 C BRANCH 15 21 ATOM 21 N LIG 1 3.269 1.619 1.740 0.00 0.00 -0.318 NA ATOM 22 H LIG 1 2.686 2.344 1.324 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 4.135 2.086 2.021 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 4.589 -0.407 1.339 0.00 0.00 +0.160 C ATOM 25 O LIG 1 5.809 -0.275 1.242 0.00 0.00 -0.295 OA BRANCH 24 27 ATOM 26 C LIG 1 4.050 -2.915 1.430 0.00 0.00 +0.019 C ATOM 27 C LIG 1 4.063 -1.580 2.139 0.00 0.00 +0.028 C ATOM 28 C LIG 1 4.487 -1.618 3.604 0.00 0.00 +0.015 C ATOM 29 C LIG 1 3.055 -1.362 3.255 0.00 0.00 +0.015 C ENDBRANCH 24 27 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -0.849 0.418 -2.554 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -1.161 -0.999 -2.537 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -2.384 -1.562 -2.773 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -2.165 -2.928 -2.689 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -3.280 -3.758 -2.896 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -4.478 -3.181 -3.143 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 -4.540 -1.833 -3.204 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -0.842 -3.199 -2.398 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 -3.547 -0.937 -3.029 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -0.269 -2.016 -2.319 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -3.217 -5.144 -2.843 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -2.413 -5.491 -2.333 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.117 -5.560 -2.644 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8