REMARK Name = BDB026295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.515 -0.672 -1.050 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.219 -2.001 -0.717 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.167 -2.948 -0.792 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.057 -2.395 -0.312 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.086 -1.457 -0.231 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.802 -0.109 -0.563 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.482 0.276 -0.960 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.399 -1.766 0.214 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.968 -3.019 -0.332 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.468 -3.143 0.071 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.326 -2.220 -0.808 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.663 -3.008 1.533 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.035 -3.187 1.982 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.941 -1.890 2.182 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.630 -0.519 2.107 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.463 -1.774 1.700 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.285 -0.140 0.039 0.00 0.00 +0.403 C ATOM 18 N LIG 1 5.278 -0.070 -0.909 0.00 0.00 -0.263 N ATOM 19 C LIG 1 4.031 -0.765 -0.608 0.00 0.00 +0.146 C ATOM 20 C LIG 1 2.881 -0.257 -1.454 0.00 0.00 -0.024 C ATOM 21 C LIG 1 3.057 0.549 -2.521 0.00 0.00 -0.020 C ATOM 22 C LIG 1 4.415 1.013 -2.956 0.00 0.00 +0.046 C ATOM 23 C LIG 1 5.548 0.214 -2.315 0.00 0.00 +0.115 C ATOM 24 O LIG 1 6.136 -0.611 1.161 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 7.463 0.374 -0.411 0.00 0.00 -0.448 OA BRANCH 25 27 ATOM 26 C LIG 1 9.844 0.388 -0.316 0.00 0.00 +0.052 C ATOM 27 C LIG 1 8.566 0.356 0.513 0.00 0.00 +0.172 C ATOM 28 C LIG 1 8.487 1.573 1.428 0.00 0.00 +0.052 C ENDBRANCH 25 27 ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 29 ATOM 29 N LIG 1 -1.900 0.769 -0.477 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.751 0.280 -0.204 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.930 2.128 -0.637 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.993 2.884 -0.858 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.298 2.690 -0.445 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.604 3.601 0.653 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.851 4.097 0.772 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.907 3.723 -0.201 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.046 4.161 -0.106 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.522 2.860 -1.199 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -6.243 2.615 -1.868 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -4.252 2.357 -1.329 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.507 3.924 1.626 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -2.100 2.794 2.268 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.947 4.762 2.607 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 7