REMARK Name = BDB035453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.901 0.425 1.620 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.010 -0.088 0.671 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.206 -0.654 -0.389 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.345 0.191 1.162 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.557 -0.132 0.580 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.728 0.252 1.248 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.635 0.963 2.469 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.392 1.281 3.050 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.248 0.876 2.367 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.191 1.070 2.718 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.403 -0.383 0.440 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.994 -0.319 0.544 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.322 0.372 1.566 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.099 1.014 2.537 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.491 0.985 2.469 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.127 0.304 1.433 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.158 -1.164 -0.752 0.00 0.00 +0.056 C ATOM 18 C LIG 1 4.463 -2.403 -1.423 0.00 0.00 +0.025 C ATOM 19 C LIG 1 5.185 -3.299 -0.389 0.00 0.00 +0.022 C ATOM 20 C LIG 1 6.268 -2.197 -0.313 0.00 0.00 +0.025 C BRANCH 17 23 ATOM 21 C LIG 1 3.546 0.611 -2.908 0.00 0.00 +0.151 C ATOM 22 N LIG 1 4.969 0.617 -2.702 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.695 -0.114 -1.803 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.964 0.228 -1.902 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 7.072 1.177 -2.891 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 5.867 1.399 -3.360 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 5.624 -4.673 -0.847 0.00 0.00 +0.217 C ATOM 28 F LIG 1 6.275 -4.559 -2.034 0.00 0.00 -0.249 F ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.293 2.032 4.351 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.601 3.197 4.219 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.631 1.318 5.303 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.495 2.362 4.894 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.084 -0.051 0.647 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.585 1.115 -0.082 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -4.848 1.440 -0.709 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -6.862 0.836 -0.761 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.130 2.015 -1.745 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.472 0.960 -2.817 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -6.617 -0.046 -2.019 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.019 0.502 0.163 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8