REMARK Name = BDB007973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.939 -0.303 -0.485 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -2.390 -1.047 0.602 0.00 0.00 -0.288 N ATOM 3 O LIG 1 -2.367 -0.521 -1.625 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -0.917 0.820 -0.256 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 3.346 0.245 -0.030 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.571 0.800 1.179 0.00 0.00 +0.027 C ATOM 7 C LIG 1 1.210 1.356 0.769 0.00 0.00 +0.085 C ATOM 8 N LIG 1 0.373 0.288 0.211 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.052 -0.545 -0.790 0.00 0.00 +0.085 C ATOM 10 C LIG 1 2.422 -0.026 -1.224 0.00 0.00 +0.027 C BRANCH 5 11 ATOM 11 C LIG 1 4.431 1.229 -0.465 0.00 0.00 +0.166 C ATOM 12 O LIG 1 4.258 2.447 -0.387 0.00 0.00 -0.292 OA BRANCH 11 16 ATOM 13 C LIG 1 8.207 -0.119 -2.056 0.00 0.00 +0.120 A ATOM 14 C LIG 1 7.176 -1.037 -1.848 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.939 -0.626 -1.337 0.00 0.00 +0.015 A ATOM 16 C LIG 1 5.723 0.718 -1.022 0.00 0.00 +0.018 A ATOM 17 C LIG 1 6.758 1.639 -1.238 0.00 0.00 +0.015 A ATOM 18 C LIG 1 7.994 1.223 -1.752 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 10.438 0.236 -2.793 0.00 0.00 +0.277 C ATOM 20 O LIG 1 9.358 -0.659 -2.559 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 5 11 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 21 ATOM 21 C LIG 1 -1.979 -0.850 2.009 0.00 0.00 +0.180 C BRANCH 21 22 ATOM 22 C LIG 1 -1.076 -1.960 2.556 0.00 0.00 +0.358 C ATOM 23 F LIG 1 -1.312 -2.113 3.887 0.00 0.00 -0.208 F ATOM 24 F LIG 1 0.233 -1.637 2.439 0.00 0.00 -0.208 F ENDBRANCH 21 22 ENDBRANCH 2 21 BRANCH 2 25 ATOM 25 C LIG 1 -3.482 -1.986 0.347 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -4.849 -1.299 0.383 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -5.815 -1.866 -0.406 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -5.608 -2.639 -1.022 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -7.095 -1.399 -0.446 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -7.961 -1.925 -1.133 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -7.362 -0.231 0.409 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -8.738 0.354 0.400 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -8.775 1.653 1.016 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -8.071 1.678 2.260 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -6.580 1.440 2.031 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -6.344 0.249 1.142 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -5.079 -0.284 1.161 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 9