REMARK Name = BDB025750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.562 -0.538 -0.278 0.00 0.00 +0.021 A ATOM 2 C LIG 1 2.033 -1.803 0.020 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.847 -2.864 0.138 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.668 -2.010 0.218 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.223 -0.940 0.122 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.287 0.346 -0.175 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.659 0.537 -0.374 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.620 -1.074 0.327 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -1.943 -1.317 1.756 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.488 -1.336 1.952 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.837 -1.468 3.437 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.195 -2.327 1.084 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.975 -3.714 1.500 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.802 -2.069 -0.335 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.491 -3.003 -1.335 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.262 -2.062 -0.572 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.721 0.112 -0.819 0.00 0.00 +0.226 A ATOM 18 C LIG 1 6.146 -0.956 -1.485 0.00 0.00 +0.117 A ATOM 19 C LIG 1 4.769 -1.171 -1.307 0.00 0.00 +0.027 A ATOM 20 C LIG 1 4.006 -0.334 -0.482 0.00 0.00 +0.004 A ATOM 21 C LIG 1 4.701 0.707 0.132 0.00 0.00 +0.123 A ATOM 22 N LIG 1 6.027 0.947 -0.015 0.00 0.00 -0.220 NA BRANCH 18 23 ATOM 23 C LIG 1 6.977 -1.839 -2.360 0.00 0.00 +0.422 C ATOM 24 F LIG 1 7.566 -1.176 -3.394 0.00 0.00 -0.166 F ATOM 25 F LIG 1 6.249 -2.836 -2.947 0.00 0.00 -0.166 F ATOM 26 F LIG 1 7.977 -2.477 -1.691 0.00 0.00 -0.166 F ENDBRANCH 18 23 BRANCH 17 28 ATOM 27 C LIG 1 8.571 1.448 -0.276 0.00 0.00 +0.279 C ATOM 28 O LIG 1 8.072 0.323 -0.993 0.00 0.00 -0.479 OA ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 29 ATOM 29 N LIG 1 -0.677 1.373 -0.257 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.618 1.018 -0.091 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.483 2.701 -0.540 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.575 3.263 -0.791 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.758 3.473 -0.576 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.592 3.733 0.593 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.719 4.459 0.447 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.113 4.990 -0.882 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.141 5.637 -1.025 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.255 4.707 -1.914 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.512 5.085 -2.819 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.102 3.975 -1.773 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.155 3.217 1.927 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -0.866 3.521 2.211 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.277 1.867 1.997 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.903 3.717 2.945 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 7