REMARK Name = BDB019890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.114 -0.126 -1.303 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.262 -0.476 -0.583 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.317 0.433 -0.440 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.215 1.701 -1.028 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.084 2.055 -1.780 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.040 1.129 -1.918 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.498 0.071 0.321 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -4.889 0.170 0.015 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -5.639 -0.273 1.047 0.00 0.00 -0.166 NA ATOM 10 N LIG 1 -4.744 -0.672 1.970 0.00 0.00 -0.268 N ATOM 11 C LIG 1 -3.450 -0.481 1.583 0.00 0.00 +0.117 A BRANCH 8 12 ATOM 12 C LIG 1 -5.498 0.687 -1.261 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.878 0.186 -2.366 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -6.819 0.390 -1.397 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -5.397 2.044 -1.352 0.00 0.00 -0.164 F ENDBRANCH 8 12 BRANCH 10 16 ATOM 16 C LIG 1 -5.194 -1.241 3.237 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -6.011 -0.232 4.044 0.00 0.00 +0.032 C ATOM 18 C LIG 1 -5.967 -2.541 3.022 0.00 0.00 +0.032 C ENDBRANCH 10 16 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 2.259 -0.591 -1.591 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.400 0.403 -1.485 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 0.999 -1.112 -1.391 0.00 0.00 +0.245 C ATOM 22 O LIG 1 0.768 -2.308 -1.255 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 3.435 -1.431 -1.516 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 4.588 -4.278 2.495 0.00 0.00 +0.047 C ATOM 25 C LIG 1 4.478 -2.930 1.852 0.00 0.00 -0.015 A ATOM 26 C LIG 1 4.869 -1.784 2.545 0.00 0.00 +0.126 A ATOM 27 F LIG 1 5.327 -1.885 3.801 0.00 0.00 -0.205 F ATOM 28 C LIG 1 4.792 -0.525 1.959 0.00 0.00 +0.039 A ATOM 29 C LIG 1 4.326 -0.398 0.650 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.944 -1.534 -0.086 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.025 -2.796 0.532 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 4.500 -0.859 -2.421 0.00 0.00 +0.014 C ATOM 33 C LIG 1 5.541 -1.756 -3.046 0.00 0.00 +0.006 C ATOM 34 C LIG 1 4.467 -1.147 -3.903 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 5 35 ATOM 35 C LIG 1 -0.958 3.432 -2.393 0.00 0.00 +0.161 C BRANCH 35 36 ATOM 36 N LIG 1 -0.338 4.351 -1.468 0.00 0.00 -0.295 N ATOM 37 C LIG 1 1.017 4.450 -1.263 0.00 0.00 +0.296 A ATOM 38 N LIG 1 1.988 3.814 -1.815 0.00 0.00 -0.250 NA ATOM 39 H LIG 1 2.844 4.193 -1.392 0.00 0.00 +0.191 HD ATOM 40 O LIG 1 1.296 5.403 -0.292 0.00 0.00 -0.431 OA ATOM 41 C LIG 1 0.006 5.825 0.055 0.00 0.00 +0.217 A ATOM 42 C LIG 1 -0.962 5.217 -0.621 0.00 0.00 +0.129 A ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9