REMARK Name = BDB035576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.317 -0.293 0.328 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.062 1.039 0.152 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.605 2.052 0.037 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.530 1.069 0.155 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.361 2.157 -0.004 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.735 1.927 0.047 0.00 0.00 +0.005 A ATOM 7 C LIG 1 4.259 0.625 0.258 0.00 0.00 -0.034 A ATOM 8 C LIG 1 3.382 -0.482 0.414 0.00 0.00 +0.063 A ATOM 9 C LIG 1 2.008 -0.223 0.358 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.844 -1.155 0.498 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.074 -0.441 0.093 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.741 0.011 0.034 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.647 -0.796 0.359 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.905 -2.126 0.721 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -3.207 -2.663 0.802 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -4.259 -1.782 0.490 0.00 0.00 +0.008 A BRANCH 11 19 ATOM 17 C LIG 1 -6.529 1.357 -1.847 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.133 1.680 -1.266 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.321 0.504 -0.251 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.345 -0.072 -1.294 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.019 0.981 1.096 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.479 1.735 2.103 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.152 2.278 2.201 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.463 1.877 3.033 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.545 1.255 2.628 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.265 0.687 1.409 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.905 1.137 -3.828 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.640 1.483 -3.280 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 BRANCH 15 29 ATOM 29 C LIG 1 -3.430 -4.183 1.246 0.00 0.00 +0.019 C ATOM 30 C LIG 1 -4.789 -4.893 0.991 0.00 0.00 +0.008 C ATOM 31 C LIG 1 -5.178 -4.569 2.445 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -3.675 -4.452 2.759 0.00 0.00 +0.008 C ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 3.897 -1.884 0.660 0.00 0.00 +0.418 C ATOM 34 F LIG 1 2.922 -2.835 0.651 0.00 0.00 -0.166 F ATOM 35 F LIG 1 4.511 -2.004 1.869 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.804 -2.285 -0.270 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 7 37 ATOM 37 C LIG 1 5.771 0.479 0.287 0.00 0.00 +0.051 C BRANCH 37 38 ATOM 38 C LIG 1 6.371 0.413 -1.128 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 7.829 0.264 -1.117 0.00 0.00 -0.310 NA ATOM 40 H LIG 1 8.142 -0.228 -0.281 0.00 0.00 +0.122 HD BRANCH 39 41 ATOM 41 C LIG 1 8.553 1.506 -1.417 0.00 0.00 +0.016 C ATOM 42 C LIG 1 8.427 1.830 -2.933 0.00 0.00 +0.022 C ATOM 43 C LIG 1 9.958 2.017 -2.958 0.00 0.00 +0.004 C ATOM 44 C LIG 1 10.028 1.103 -1.716 0.00 0.00 +0.022 C ATOM 45 C LIG 1 8.373 2.624 -0.408 0.00 0.00 +0.027 C ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 7 37 TORSDOF 10