REMARK Name = BDB026284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.952 -1.354 -0.049 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.421 -0.086 0.290 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.059 0.065 0.567 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.811 -1.037 0.507 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.271 -2.284 0.169 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.051 -3.374 0.093 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.087 -2.446 -0.105 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.210 -4.521 0.594 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.017 -3.219 0.521 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.722 -3.208 -0.783 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.171 -3.124 -0.631 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.230 -2.162 -1.699 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.702 -1.986 -1.622 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.336 -1.461 -0.294 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.123 -1.985 0.847 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.232 -0.888 0.795 0.00 0.00 +0.022 A ATOM 17 C LIG 1 2.942 0.295 0.731 0.00 0.00 +0.117 A ATOM 18 N LIG 1 4.230 -0.005 1.069 0.00 0.00 -0.270 N ATOM 19 N LIG 1 4.420 -1.307 1.351 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 3.207 -1.841 1.180 0.00 0.00 +0.143 A BRANCH 18 21 ATOM 21 C LIG 1 5.350 0.917 1.144 0.00 0.00 +0.159 C BRANCH 21 22 ATOM 22 C LIG 1 6.293 0.746 -0.053 0.00 0.00 +0.108 C BRANCH 22 23 ATOM 23 N LIG 1 7.381 1.746 -0.081 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 8.406 1.515 0.965 0.00 0.00 +0.112 C ATOM 25 C LIG 1 9.333 0.316 0.693 0.00 0.00 +0.175 C ATOM 26 O LIG 1 9.969 0.430 -0.586 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.993 0.544 -1.628 0.00 0.00 +0.175 C ATOM 28 C LIG 1 8.069 1.752 -1.395 0.00 0.00 +0.112 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.354 0.975 0.304 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.286 0.654 0.046 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.136 2.297 0.592 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.085 2.821 0.941 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.378 3.120 0.505 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.139 3.337 -0.722 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.237 4.120 -0.684 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.675 4.753 0.584 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.681 5.448 0.630 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.883 4.505 1.677 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.168 4.955 2.540 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.759 3.718 1.646 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.663 2.716 -1.997 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.329 3.190 -3.082 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.861 1.373 -1.990 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.346 2.933 -2.227 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8