REMARK Name = BDB001463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.294 -0.537 -0.546 0.00 0.00 -0.275 N ATOM 2 C LIG 1 0.362 0.076 0.410 0.00 0.00 +0.194 C ATOM 3 C LIG 1 -0.825 0.484 -0.479 0.00 0.00 +0.245 C ATOM 4 O LIG 1 -0.974 1.623 -0.928 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.724 -0.553 -0.799 0.00 0.00 -0.269 N ATOM 6 C LIG 1 -1.478 -1.942 -0.519 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -0.191 -2.531 -0.530 0.00 0.00 +0.059 A ATOM 8 C LIG 1 -0.027 -3.900 -0.237 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -1.128 -4.689 0.076 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.400 -4.133 0.083 0.00 0.00 +0.016 A ATOM 11 I LIG 1 -0.873 -6.701 0.515 0.00 0.00 -0.044 I ATOM 12 C LIG 1 -2.571 -2.777 -0.219 0.00 0.00 +0.025 A ATOM 13 C LIG 1 1.044 -1.832 -0.986 0.00 0.00 +0.250 C ATOM 14 O LIG 1 1.773 -2.456 -1.751 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 15 ATOM 15 C LIG 1 0.979 1.089 1.371 0.00 0.00 -0.018 A ATOM 16 C LIG 1 0.661 2.452 1.409 0.00 0.00 +0.006 A ATOM 17 C LIG 1 1.274 3.309 2.332 0.00 0.00 +0.013 A ATOM 18 C LIG 1 2.214 2.825 3.250 0.00 0.00 +0.055 A ATOM 19 C LIG 1 2.535 1.464 3.224 0.00 0.00 +0.013 A ATOM 20 C LIG 1 1.922 0.611 2.303 0.00 0.00 +0.006 A BRANCH 18 21 ATOM 21 C LIG 1 2.902 3.755 4.218 0.00 0.00 +0.417 C ATOM 22 F LIG 1 3.097 3.195 5.445 0.00 0.00 -0.166 F ATOM 23 F LIG 1 4.133 4.138 3.780 0.00 0.00 -0.166 F ATOM 24 F LIG 1 2.210 4.908 4.444 0.00 0.00 -0.166 F ENDBRANCH 18 21 ENDBRANCH 2 15 BRANCH 1 26 ATOM 25 C LIG 1 2.271 0.214 -2.770 0.00 0.00 +0.033 C ATOM 26 C LIG 1 2.279 0.333 -1.239 0.00 0.00 +0.105 C BRANCH 26 27 ATOM 27 C LIG 1 3.687 0.218 -0.667 0.00 0.00 -0.027 A ATOM 28 C LIG 1 4.291 1.342 -0.074 0.00 0.00 +0.007 A ATOM 29 C LIG 1 5.575 1.266 0.471 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.277 0.065 0.421 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 7.854 -0.034 1.099 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 5.707 -1.055 -0.175 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.420 -0.977 -0.718 0.00 0.00 +0.007 A ENDBRANCH 26 27 ENDBRANCH 1 26 BRANCH 5 34 ATOM 34 C LIG 1 -2.946 -0.172 -1.521 0.00 0.00 +0.114 C BRANCH 34 35 ATOM 35 C LIG 1 -3.993 0.471 -0.603 0.00 0.00 +0.020 C BRANCH 35 36 ATOM 36 C LIG 1 -5.245 0.935 -1.351 0.00 0.00 +0.013 C BRANCH 36 37 ATOM 37 C LIG 1 -6.090 -0.216 -1.901 0.00 0.00 +0.120 C BRANCH 37 38 ATOM 38 C LIG 1 -7.375 0.282 -2.526 0.00 0.00 +0.305 C ATOM 39 O LIG 1 -7.673 1.453 -2.688 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -8.184 -0.731 -2.914 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -7.826 -1.621 -2.739 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 10