REMARK Name = BDB026235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.947 1.674 0.400 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.208 0.471 0.324 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.183 0.489 0.466 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.889 1.689 0.695 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.130 2.866 0.770 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.728 4.052 0.968 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.259 2.867 0.630 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.955 3.065 -2.163 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.399 2.566 -0.824 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.827 3.339 0.375 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.110 4.753 0.143 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.857 3.197 1.490 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.097 1.854 1.509 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.352 1.618 0.246 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.856 2.385 -0.919 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.359 1.674 0.835 0.00 0.00 +0.079 A ATOM 17 N LIG 1 3.989 0.698 0.144 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 5.322 0.580 0.230 0.00 0.00 +0.218 A ATOM 19 N LIG 1 6.065 1.416 0.971 0.00 0.00 -0.223 NA ATOM 20 C LIG 1 5.424 2.383 1.650 0.00 0.00 +0.116 A ATOM 21 C LIG 1 4.064 2.556 1.624 0.00 0.00 +0.048 A BRANCH 18 22 ATOM 22 N LIG 1 5.953 -0.420 -0.487 0.00 0.00 -0.295 N ATOM 23 C LIG 1 5.150 -1.563 -0.944 0.00 0.00 +0.136 C ATOM 24 C LIG 1 5.685 -2.864 -0.325 0.00 0.00 +0.179 C ATOM 25 O LIG 1 7.062 -3.134 -0.641 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.836 -1.945 -0.876 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.333 -0.722 -0.095 0.00 0.00 +0.136 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.965 -0.698 0.102 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.964 -0.502 0.064 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.519 -1.984 -0.073 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.642 -2.376 -0.102 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.630 -2.947 -0.332 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -2.671 -3.283 0.627 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -3.616 -4.174 0.277 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -3.618 -4.818 -1.065 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -4.515 -5.610 -1.338 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.574 -4.458 -1.910 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -2.484 -5.062 -3.231 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -1.604 -3.543 -1.535 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.650 -2.666 1.992 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.990 -1.351 1.928 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -1.418 -2.725 2.558 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6