REMARK Name = BDB026220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.822 1.014 -1.096 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.449 2.326 -0.777 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.307 3.340 -0.969 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.196 2.618 -0.243 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.722 1.590 -0.019 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.353 0.259 -0.334 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.905 -0.023 -0.871 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.005 1.813 0.529 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -1.974 2.270 1.929 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.414 2.250 2.526 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.809 0.815 2.901 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.479 2.788 1.630 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.434 3.593 2.393 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.906 3.498 0.461 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.980 4.001 -0.513 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.911 2.597 -0.342 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.097 -1.453 -0.914 0.00 0.00 +0.403 C ATOM 18 N LIG 1 5.311 -0.471 -1.497 0.00 0.00 -0.263 N ATOM 19 C LIG 1 4.077 -0.118 -0.800 0.00 0.00 +0.146 C ATOM 20 C LIG 1 3.154 0.717 -1.657 0.00 0.00 -0.024 C ATOM 21 C LIG 1 3.473 1.172 -2.882 0.00 0.00 -0.020 C ATOM 22 C LIG 1 4.819 0.916 -3.487 0.00 0.00 +0.046 C ATOM 23 C LIG 1 5.854 0.502 -2.440 0.00 0.00 +0.115 C ATOM 24 O LIG 1 5.747 -2.123 0.050 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 7.303 -1.593 -1.531 0.00 0.00 -0.451 OA BRANCH 25 27 ATOM 26 C LIG 1 7.863 -3.947 -1.613 0.00 0.00 +0.048 C ATOM 27 C LIG 1 8.174 -2.598 -0.993 0.00 0.00 +0.230 C ENDBRANCH 25 27 ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.337 -0.711 -0.060 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.175 -0.294 0.343 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.260 -2.072 -0.196 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.303 -2.734 -0.580 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.508 -2.770 0.238 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -2.486 -3.806 1.268 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -3.632 -4.433 1.600 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -4.908 -4.080 0.929 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.957 -4.639 1.220 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.827 -3.096 -0.026 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.699 -2.861 -0.487 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.663 -2.459 -0.374 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.179 -4.109 1.944 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -0.714 -3.005 2.590 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -1.332 -5.059 2.910 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7