REMARK Name = BDB026218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.530 -0.883 -0.364 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.899 0.381 -0.236 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.494 0.497 -0.302 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.304 -0.631 -0.515 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.666 -1.872 -0.639 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.379 -2.991 -0.841 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.723 -2.002 -0.569 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.164 -2.768 2.933 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.709 -2.630 1.476 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.640 -3.282 0.512 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.007 -2.762 0.582 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.040 -3.173 -0.847 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.886 -3.844 -1.937 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.671 -1.723 -1.276 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.936 -0.947 -0.250 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.406 -1.144 1.144 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.779 -0.500 -0.571 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.624 -1.564 0.086 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.043 -1.071 0.399 0.00 0.00 +0.113 C ATOM 20 N LIG 1 5.608 -0.404 -0.772 0.00 0.00 -0.296 N ATOM 21 C LIG 1 4.868 0.737 -1.301 0.00 0.00 +0.135 C ATOM 22 C LIG 1 3.379 0.532 -1.197 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 6.986 -0.198 -0.733 0.00 0.00 +0.218 A ATOM 24 N LIG 1 7.535 0.698 -1.579 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 8.875 0.861 -1.554 0.00 0.00 +0.127 A ATOM 26 C LIG 1 9.699 0.164 -0.711 0.00 0.00 +0.050 A ATOM 27 C LIG 1 9.074 -0.725 0.123 0.00 0.00 +0.127 A ATOM 28 N LIG 1 7.736 -0.917 0.125 0.00 0.00 -0.222 NA BRANCH 26 29 ATOM 29 C LIG 1 11.146 0.363 -0.707 0.00 0.00 +0.261 C ATOM 30 O LIG 1 11.874 -0.255 0.058 0.00 0.00 -0.296 OA ENDBRANCH 26 29 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.772 1.480 -0.076 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.747 1.191 -0.099 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.459 2.806 0.094 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.343 3.289 0.226 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.668 3.685 0.199 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -2.832 4.649 1.287 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -3.962 5.381 1.356 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -5.015 5.252 0.321 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.049 5.904 0.374 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.748 4.360 -0.688 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.459 4.292 -1.408 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.610 3.596 -0.757 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -1.744 4.799 2.313 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -0.806 5.688 1.894 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -2.244 5.316 3.474 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7