REMARK Name = BDB025810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.248 0.169 0.315 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.956 1.535 0.453 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.950 2.432 0.553 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.647 2.013 0.501 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.426 1.125 0.411 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.157 -0.257 0.272 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.162 -0.721 0.222 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.776 1.548 0.448 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.166 2.302 -0.771 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.565 2.951 -0.573 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.117 3.432 -1.920 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.595 3.949 0.533 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -3.550 5.349 0.120 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.533 3.688 1.534 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.183 2.195 1.721 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 6.238 -1.317 0.268 0.00 0.00 +0.125 A ATOM 17 N LIG 1 5.327 -1.890 1.067 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 4.065 -1.394 1.054 0.00 0.00 +0.121 A ATOM 19 C LIG 1 3.635 -0.323 0.274 0.00 0.00 +0.003 A ATOM 20 C LIG 1 4.608 0.254 -0.547 0.00 0.00 +0.013 A ATOM 21 C LIG 1 5.914 -0.243 -0.554 0.00 0.00 +0.044 A BRANCH 16 24 ATOM 22 C LIG 1 9.527 -3.066 0.685 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.065 -2.827 0.976 0.00 0.00 +0.215 C ATOM 24 N LIG 1 7.560 -1.779 0.232 0.00 0.00 -0.271 N ATOM 25 H LIG 1 8.188 -1.302 -0.397 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 7.471 -3.541 1.774 0.00 0.00 -0.276 OA ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 6 27 ATOM 27 N LIG 1 -1.295 -1.090 0.201 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.159 -0.551 0.264 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.342 -2.458 0.115 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.396 -3.234 0.082 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.735 -2.991 0.130 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -3.713 -2.767 -0.929 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -4.938 -3.320 -0.819 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -5.296 -4.145 0.361 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -6.411 -4.637 0.474 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.303 -4.312 1.292 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -4.538 -4.893 2.090 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -3.050 -3.761 1.184 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -3.320 -1.959 -2.125 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -3.197 -0.644 -1.811 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.144 -2.358 -2.666 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.244 -2.024 -3.119 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 6 27 TORSDOF 6