REMARK Name = BDB025837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.205 -1.063 0.277 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.354 0.236 0.325 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.735 0.408 0.461 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.601 -0.699 0.550 0.00 0.00 +0.021 A ATOM 5 C LIG 1 2.022 -1.976 0.501 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.795 -3.071 0.573 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.647 -2.164 0.367 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 4.057 -0.511 0.691 0.00 0.00 +0.007 A ATOM 9 C LIG 1 4.763 0.416 -0.090 0.00 0.00 +0.061 A ATOM 10 C LIG 1 6.138 0.568 0.071 0.00 0.00 +0.182 A ATOM 11 O LIG 1 6.766 1.480 -0.735 0.00 0.00 -0.483 OA ATOM 12 C LIG 1 8.190 1.331 -0.678 0.00 0.00 +0.270 C ATOM 13 C LIG 1 8.653 1.133 0.757 0.00 0.00 +0.272 C ATOM 14 O LIG 1 8.130 -0.086 1.287 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 6.784 -0.199 1.039 0.00 0.00 +0.258 A ATOM 16 N LIG 1 6.153 -1.109 1.805 0.00 0.00 -0.218 NA ATOM 17 C LIG 1 4.817 -1.242 1.611 0.00 0.00 +0.123 A ENDBRANCH 4 8 BRANCH 1 25 ATOM 18 C LIG 1 -3.966 -2.369 -2.615 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.554 -1.880 -1.223 0.00 0.00 +0.071 C ATOM 20 N LIG 1 -4.120 -2.793 -0.195 0.00 0.00 -0.297 NA ATOM 21 C LIG 1 -5.479 -2.384 0.172 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -3.265 -2.929 1.010 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -2.521 -4.270 0.923 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -2.297 -1.751 1.317 0.00 0.00 +0.123 C ATOM 25 N LIG 1 -1.605 -1.190 0.135 0.00 0.00 -0.325 N ATOM 26 C LIG 1 -2.009 -1.754 -1.167 0.00 0.00 +0.123 C ENDBRANCH 1 25 BRANCH 2 27 ATOM 27 N LIG 1 -0.574 1.296 0.231 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -1.528 0.950 0.141 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -0.329 2.645 0.266 0.00 0.00 +0.250 C ATOM 30 O LIG 1 0.752 3.204 0.399 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -1.576 3.460 0.184 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -2.454 3.508 -0.981 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -3.545 4.300 -0.950 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -3.858 5.114 0.251 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -4.856 5.820 0.294 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -2.962 5.015 1.286 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -3.162 5.587 2.099 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -1.844 4.219 1.259 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -2.103 2.703 -2.192 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.295 1.378 -1.972 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.816 2.868 -2.579 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.873 3.022 -3.265 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 5