REMARK Name = BDB035853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.232 -1.274 0.875 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.022 -0.894 -0.454 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.737 -0.297 -1.240 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.306 -1.394 -0.838 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.962 -1.260 -2.049 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.228 -1.848 -2.179 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.783 -2.552 -1.083 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.102 -2.676 0.144 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.849 -2.079 0.241 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.890 -2.049 1.388 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.593 0.103 1.920 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.402 -0.150 1.200 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.388 -1.005 1.658 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.555 -1.594 2.916 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.711 -1.368 3.663 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.715 -0.541 3.164 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.429 3.110 1.143 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.269 2.160 2.347 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.753 1.054 1.357 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.374 2.245 0.416 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.936 0.170 0.762 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.889 -0.711 -0.284 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.763 -1.074 -1.100 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.150 -1.208 -0.410 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.930 -0.668 0.497 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.165 0.199 1.237 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -5.994 5.269 2.080 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.056 4.487 1.355 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.699 -3.421 1.308 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.896 -4.438 1.727 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.909 -3.981 1.044 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.879 -2.622 2.395 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 3.997 -1.726 -3.476 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.223 -0.937 -3.355 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 5.749 -1.261 -2.544 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 4.958 0.491 -3.217 0.00 0.00 +0.085 C BRANCH 36 37 ATOM 37 C LIG 1 6.288 1.173 -3.117 0.00 0.00 +0.016 C ATOM 38 C LIG 1 6.970 1.262 -1.826 0.00 0.00 +0.044 C ATOM 39 C LIG 1 6.955 0.539 -0.575 0.00 0.00 +0.256 C ATOM 40 F LIG 1 6.499 -0.758 -0.494 0.00 0.00 -0.205 F ATOM 41 F LIG 1 6.673 1.157 0.619 0.00 0.00 -0.205 F ATOM 42 C LIG 1 8.258 0.828 -1.280 0.00 0.00 +0.089 C ATOM 43 C LIG 1 6.422 2.506 -2.357 0.00 0.00 +0.018 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9