REMARK Name = BDB024441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.747 -0.308 0.280 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.262 -0.905 1.597 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.632 -0.358 2.837 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.185 -0.929 4.031 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.629 -2.058 4.003 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.993 -2.623 2.782 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.546 -2.053 1.588 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.638 1.824 -0.069 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.600 2.829 0.019 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.548 1.237 0.253 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.480 2.004 0.545 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.304 0.243 -1.270 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.173 -0.538 -1.063 0.00 0.00 +0.121 A ATOM 14 N LIG 1 1.962 -0.058 -0.676 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 1.849 1.260 -0.467 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.921 2.127 -0.656 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.157 1.613 -1.059 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.147 -0.554 -2.037 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.710 -0.682 -2.017 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.135 -1.766 -2.566 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 5.830 -1.563 -2.367 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.560 -0.348 -1.692 0.00 0.00 +0.021 A ATOM 23 C LIG 1 6.812 0.196 -1.481 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.197 -0.633 0.119 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.703 -0.004 0.752 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.663 -0.408 -1.258 0.00 0.00 +0.099 C BRANCH 26 27 ATOM 27 C LIG 1 -4.176 -0.685 -1.403 0.00 0.00 +0.137 C BRANCH 27 28 ATOM 28 C LIG 1 -5.042 0.195 -0.503 0.00 0.00 -0.035 A ATOM 29 C LIG 1 -5.943 -0.405 0.391 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.740 0.376 1.233 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.647 1.769 1.194 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.753 2.377 0.308 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.958 1.595 -0.535 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -7.460 2.571 2.060 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -8.120 3.220 2.761 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 BRANCH 27 36 ATOM 36 C LIG 1 -4.567 -0.558 -2.873 0.00 0.00 +0.398 C ATOM 37 F LIG 1 -4.307 0.674 -3.368 0.00 0.00 -0.170 F ATOM 38 F LIG 1 -5.880 -0.813 -3.069 0.00 0.00 -0.170 F ATOM 39 F LIG 1 -3.877 -1.444 -3.632 0.00 0.00 -0.170 F ENDBRANCH 27 36 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10