REMARK Name = BDB035529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.035 -0.519 1.690 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.611 0.056 0.590 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.173 0.571 -0.421 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.054 -0.050 0.836 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.099 0.365 0.032 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.405 0.146 0.488 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.611 -0.494 1.736 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.535 -0.909 2.543 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.250 -0.672 2.063 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.927 -0.995 2.676 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.768 -0.323 1.071 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.363 -0.215 0.914 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.440 -0.646 1.880 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.950 -1.213 3.054 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.324 -1.336 3.253 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.215 -0.895 2.276 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.216 1.728 -0.608 0.00 0.00 +0.121 C ATOM 18 C LIG 1 4.684 1.721 -0.408 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.770 0.189 -0.076 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.267 0.470 0.289 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 4.656 -0.729 -1.374 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.761 -2.092 -1.454 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.992 -3.030 -0.392 0.00 0.00 +0.151 C ATOM 24 C LIG 1 4.621 -2.403 -2.771 0.00 0.00 +0.224 A ATOM 25 N LIG 1 4.456 -1.304 -3.468 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.480 -0.249 -2.588 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 27 ATOM 27 O LIG 1 6.926 2.873 -0.090 0.00 0.00 -0.377 OA BRANCH 27 29 ATOM 28 C LIG 1 7.606 5.160 -0.185 0.00 0.00 +0.034 C ATOM 29 C LIG 1 6.860 4.049 -0.893 0.00 0.00 +0.157 C ENDBRANCH 27 29 ENDBRANCH 17 27 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.754 -1.597 3.863 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.128 -0.952 4.887 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -5.061 -1.700 4.226 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -3.257 -2.864 3.870 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.593 0.559 -0.355 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -6.237 -0.623 -0.931 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.517 -1.181 -1.392 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.368 -0.271 -1.806 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.765 -1.563 -2.584 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.806 -0.700 -3.864 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -6.844 0.281 -3.162 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.518 0.438 -1.114 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9