REMARK Name = BDB035717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.519 0.202 0.907 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.523 -0.027 1.811 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.515 -0.252 3.007 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.775 0.043 1.048 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.072 -0.105 1.505 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.114 0.020 0.578 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.808 0.296 -0.778 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.482 0.441 -1.229 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.471 0.307 -0.282 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.012 0.406 -0.445 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.260 0.489 0.421 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.860 0.429 0.191 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.907 0.262 1.212 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.378 0.165 2.522 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.743 0.243 2.798 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.665 0.404 1.764 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.286 0.640 -0.817 0.00 0.00 +0.060 C ATOM 18 C LIG 1 6.819 0.834 -0.570 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.615 2.357 -0.699 0.00 0.00 +0.124 C ATOM 20 C LIG 1 5.320 2.062 -1.481 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 21 C LIG 1 5.442 -2.543 -0.393 0.00 0.00 +0.151 C ATOM 22 N LIG 1 5.114 -1.876 -1.623 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.034 -0.530 -1.857 0.00 0.00 +0.144 A ATOM 24 N LIG 1 4.680 -0.337 -3.111 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 4.530 -1.568 -3.705 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 4.788 -2.481 -2.798 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 6.451 3.074 0.542 0.00 0.00 -0.346 OA BRANCH 27 28 ATOM 28 C LIG 1 7.648 3.507 1.166 0.00 0.00 +0.375 C ATOM 29 F LIG 1 7.335 3.819 2.448 0.00 0.00 -0.218 F ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.163 0.725 -2.672 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -1.397 1.844 -2.817 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.263 0.918 -3.453 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.458 -0.287 -3.250 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.557 -0.110 1.022 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -6.235 -1.166 0.267 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.764 -2.050 0.462 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.688 -1.204 0.520 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.296 -2.199 -0.515 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.485 -1.017 -1.487 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -8.400 -0.071 -0.272 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.083 -1.454 1.962 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9