REMARK Name = BDB026075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.414 -0.654 -0.061 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.926 0.669 0.030 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.449 0.925 -0.027 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.380 -0.119 -0.179 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.869 -1.424 -0.273 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.691 -2.474 -0.422 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.498 -1.695 -0.214 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.594 -0.577 1.296 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.709 -1.829 1.344 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.142 -2.736 0.245 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.579 -4.026 0.786 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.098 -2.893 -0.803 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.697 -3.476 -2.090 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.401 -1.547 -1.159 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.812 -0.866 0.021 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.203 -1.452 1.323 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.830 0.155 -0.242 0.00 0.00 -0.022 C ATOM 18 C LIG 1 3.850 -0.920 -0.491 0.00 0.00 +0.147 C ATOM 19 N LIG 1 5.096 -0.182 -0.485 0.00 0.00 -0.259 N ATOM 20 C LIG 1 6.296 -0.800 -0.692 0.00 0.00 +0.404 C ATOM 21 O LIG 1 6.423 -2.001 -0.899 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 4.923 1.228 -0.228 0.00 0.00 +0.139 C ATOM 23 C LIG 1 3.444 1.343 -0.095 0.00 0.00 -0.002 C BRANCH 20 24 ATOM 24 O LIG 1 7.336 0.077 -0.635 0.00 0.00 -0.439 OA BRANCH 24 25 ATOM 25 C LIG 1 8.654 -0.484 -0.867 0.00 0.00 +0.158 C ATOM 26 C LIG 1 9.802 0.299 -0.192 0.00 0.00 +0.210 C ATOM 27 O LIG 1 10.348 -0.911 0.386 0.00 0.00 -0.372 OA ATOM 28 C LIG 1 9.131 -1.628 0.057 0.00 0.00 +0.210 C ATOM 29 C LIG 1 8.898 -0.694 -2.358 0.00 0.00 +0.061 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.914 1.666 0.169 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.852 1.266 0.185 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.750 3.025 0.241 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.707 3.662 0.186 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.050 3.743 0.357 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.853 3.768 1.573 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.019 4.445 1.576 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.483 5.160 0.361 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.545 5.769 0.351 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.648 5.091 -0.726 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.957 5.592 -1.552 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.458 4.406 -0.737 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.339 3.066 2.792 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.080 3.441 3.118 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.110 3.304 3.886 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.331 1.719 2.624 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7