REMARK Name = BDB026273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.060 -0.853 -0.031 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.337 0.341 0.207 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.058 0.315 0.309 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.764 -0.889 0.169 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.035 -2.062 -0.072 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.666 -3.237 -0.224 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.355 -2.052 -0.171 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.412 -2.755 -2.803 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.841 -2.483 -1.408 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.949 -2.481 -0.411 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.245 -3.839 0.051 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.648 -1.592 0.737 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.143 -1.427 1.031 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.469 -0.783 -0.120 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.026 -1.156 -1.445 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.236 -0.904 0.271 0.00 0.00 -0.038 C ATOM 17 C LIG 1 3.027 0.025 -0.613 0.00 0.00 +0.054 C ATOM 18 C LIG 1 4.448 0.243 -0.088 0.00 0.00 +0.116 C ATOM 19 N LIG 1 5.066 -1.010 0.338 0.00 0.00 -0.263 N ATOM 20 C LIG 1 6.423 -1.251 0.209 0.00 0.00 +0.403 C ATOM 21 O LIG 1 7.011 -2.178 0.756 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 4.347 -1.806 1.319 0.00 0.00 +0.138 C ATOM 23 C LIG 1 2.860 -1.709 1.151 0.00 0.00 -0.004 C BRANCH 20 24 ATOM 24 O LIG 1 7.048 -0.344 -0.593 0.00 0.00 -0.447 OA BRANCH 24 25 ATOM 25 C LIG 1 8.462 -0.561 -0.770 0.00 0.00 +0.189 C ATOM 26 C LIG 1 9.380 -0.188 0.416 0.00 0.00 +0.120 C ATOM 27 C LIG 1 10.381 0.369 -0.614 0.00 0.00 +0.256 C ATOM 28 F LIG 1 11.336 -0.498 -1.022 0.00 0.00 -0.205 F ATOM 29 F LIG 1 11.014 1.510 -0.263 0.00 0.00 -0.205 F ATOM 30 C LIG 1 9.191 0.534 -1.579 0.00 0.00 +0.120 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -2.115 1.514 0.317 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.113 1.318 0.241 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.683 2.809 0.453 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.522 3.201 0.503 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.797 3.806 0.440 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -3.882 3.864 1.415 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -4.816 4.830 1.304 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -4.752 5.828 0.206 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -5.604 6.699 0.095 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -3.688 5.702 -0.649 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -3.629 6.392 -1.390 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.728 4.727 -0.537 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.925 2.877 2.539 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -2.713 2.726 3.131 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -4.294 1.652 2.081 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7