REMARK Name = BDB029305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.429 -0.311 0.582 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.784 -0.215 1.269 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.082 -0.502 2.414 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.768 0.330 0.325 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.106 0.604 0.536 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.845 1.142 -0.527 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.212 1.365 -1.772 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.848 1.070 -1.976 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.139 0.554 -0.895 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.299 0.157 -0.793 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.106 -1.177 0.765 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.810 -0.850 0.292 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.679 -0.722 1.121 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.843 -0.986 2.480 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.093 -1.329 2.991 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.202 -1.412 2.149 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.378 -1.283 -0.249 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.783 -1.667 0.346 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.436 -3.155 0.094 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -5.474 -2.661 -1.010 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.535 -3.981 -0.352 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.428 -4.628 -0.713 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.448 -0.106 -1.253 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -7.205 1.729 0.623 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -5.899 2.019 0.098 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.120 1.246 -0.722 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -4.017 1.917 -0.999 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -4.062 3.117 -0.336 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -5.196 3.163 0.321 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.182 1.332 -3.301 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.326 0.337 -3.664 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.064 1.456 -4.331 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.448 2.476 -3.294 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.315 1.446 -0.346 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.103 0.218 -0.453 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 5.909 -0.216 -1.355 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.535 0.461 -0.317 0.00 0.00 +0.060 C ATOM 38 C LIG 1 8.342 -0.815 -0.549 0.00 0.00 +0.094 C ATOM 39 C LIG 1 9.688 -0.410 0.006 0.00 0.00 +0.250 C ATOM 40 F LIG 1 10.318 0.404 -0.877 0.00 0.00 -0.206 F ATOM 41 F LIG 1 10.490 -1.468 0.224 0.00 0.00 -0.206 F ATOM 42 C LIG 1 9.388 0.354 1.281 0.00 0.00 +0.077 C ATOM 43 C LIG 1 7.970 0.902 1.089 0.00 0.00 +0.024 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9