REMARK Name = BDB026296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.311 -0.753 0.286 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.313 -0.213 1.577 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.456 -0.113 2.272 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.139 0.219 2.191 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.084 0.120 1.521 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.103 -0.429 0.215 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.084 -0.854 -0.390 0.00 0.00 +0.036 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 6.054 -0.004 -0.950 0.00 0.00 +0.403 C ATOM 9 N LIG 1 4.895 -0.755 -1.060 0.00 0.00 -0.263 N ATOM 10 C LIG 1 3.683 -0.188 -0.474 0.00 0.00 +0.146 C ATOM 11 C LIG 1 2.557 -1.195 -0.378 0.00 0.00 -0.024 C ATOM 12 C LIG 1 2.643 -2.453 -0.853 0.00 0.00 -0.020 C ATOM 13 C LIG 1 3.862 -2.941 -1.573 0.00 0.00 +0.046 C ATOM 14 C LIG 1 4.732 -1.790 -2.076 0.00 0.00 +0.115 C ATOM 15 O LIG 1 6.145 1.017 -0.277 0.00 0.00 -0.226 OA BRANCH 8 16 ATOM 16 O LIG 1 7.083 -0.523 -1.672 0.00 0.00 -0.448 OA BRANCH 16 18 ATOM 17 C LIG 1 9.434 -0.827 -1.921 0.00 0.00 +0.052 C ATOM 18 C LIG 1 8.337 0.181 -1.600 0.00 0.00 +0.172 C ATOM 19 C LIG 1 8.342 1.322 -2.610 0.00 0.00 +0.052 C ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 N LIG 1 -2.309 0.554 2.091 0.00 0.00 -0.326 N ATOM 21 C LIG 1 -2.424 2.037 2.081 0.00 0.00 +0.123 C ATOM 22 C LIG 1 -3.594 2.554 2.982 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -3.054 3.174 4.282 0.00 0.00 +0.026 C ATOM 24 N LIG 1 -4.644 1.560 3.317 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -5.483 1.284 2.147 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -4.056 0.301 3.837 0.00 0.00 +0.103 C ATOM 27 C LIG 1 -2.602 -0.033 3.411 0.00 0.00 +0.120 C ENDBRANCH 5 20 BRANCH 6 28 ATOM 28 N LIG 1 -2.374 -0.520 -0.391 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.107 -0.136 0.202 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.704 -1.107 -1.587 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -1.953 -1.672 -2.373 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -4.173 -1.095 -1.849 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -4.957 0.106 -2.120 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -6.277 -0.012 -2.364 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -6.935 -1.344 -2.355 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -8.136 -1.455 -2.562 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -6.112 -2.413 -2.106 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -6.553 -3.325 -2.119 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.764 -2.301 -1.867 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -4.276 1.439 -2.155 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -3.953 1.836 -0.896 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -3.121 1.406 -2.865 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7