REMARK Name = BDB035700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.427 -1.039 0.150 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.697 -1.849 0.343 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.802 -2.999 0.728 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.871 -1.047 -0.021 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.206 -1.409 0.009 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.153 -0.456 -0.388 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.720 0.831 -0.793 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.357 1.183 -0.817 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.442 0.212 -0.422 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.049 0.282 -0.337 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.196 -0.793 0.331 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.825 -0.491 0.132 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.782 -1.403 0.382 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.136 -2.666 0.860 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.472 -3.003 1.078 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.483 -2.080 0.816 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.329 0.292 -0.001 0.00 0.00 +0.062 C ATOM 18 C LIG 1 -5.287 1.597 0.870 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.831 1.622 0.848 0.00 0.00 +0.130 C ATOM 20 C LIG 1 -6.776 0.102 0.561 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 21 C LIG 1 -5.711 -1.724 -2.539 0.00 0.00 +0.176 C ATOM 22 N LIG 1 -5.506 -0.304 -2.579 0.00 0.00 -0.231 N ATOM 23 C LIG 1 -5.340 0.588 -1.558 0.00 0.00 +0.162 A ATOM 24 N LIG 1 -5.172 1.782 -2.085 0.00 0.00 -0.112 NA ATOM 25 N LIG 1 -5.238 1.612 -3.445 0.00 0.00 -0.023 NA ATOM 26 N LIG 1 -5.439 0.339 -3.755 0.00 0.00 -0.044 NA ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 -7.453 2.014 2.085 0.00 0.00 -0.288 OA BRANCH 27 28 ATOM 28 C LIG 1 -8.863 2.083 2.050 0.00 0.00 +0.525 C ATOM 29 F LIG 1 -9.258 3.022 1.171 0.00 0.00 -0.144 F ATOM 30 F LIG 1 -9.325 2.399 3.274 0.00 0.00 -0.144 F ATOM 31 F LIG 1 -9.371 0.889 1.684 0.00 0.00 -0.144 F ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 1.900 2.553 -1.243 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.910 3.382 -1.617 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.042 2.500 -2.299 0.00 0.00 -0.166 F ATOM 35 F LIG 1 1.225 3.199 -0.252 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.630 -0.782 -0.367 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.294 -0.039 0.703 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.893 -0.324 1.597 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.758 -0.155 0.645 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.309 0.719 -0.516 0.00 0.00 +0.022 C ATOM 41 C LIG 1 9.317 1.312 0.490 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.329 0.925 1.612 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.302 -1.558 0.840 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9