REMARK Name = BDB035494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.562 -1.327 -0.131 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.084 -0.251 0.486 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.317 0.851 0.811 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.474 -0.662 0.719 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.501 0.057 1.304 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.759 -0.554 1.410 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.927 -1.879 0.941 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.870 -2.598 0.348 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.639 -1.957 0.247 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.348 -2.449 -0.323 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.149 -0.340 -0.768 0.00 0.00 -0.007 A ATOM 12 C LIG 1 2.797 -0.297 -0.359 0.00 0.00 +0.030 A ATOM 13 C LIG 1 1.923 -1.379 -0.545 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.435 -2.530 -1.162 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.765 -2.596 -1.583 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.613 -1.510 -1.391 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.080 0.868 -0.577 0.00 0.00 +0.157 C BRANCH 17 20 ATOM 18 C LIG 1 5.753 -0.067 2.350 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.680 0.049 1.256 0.00 0.00 -0.318 N ATOM 20 C LIG 1 6.427 0.458 -0.032 0.00 0.00 +0.170 A ATOM 21 N LIG 1 7.562 0.407 -0.710 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 8.553 -0.027 0.135 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 8.010 -0.236 1.310 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.228 1.563 -1.939 0.00 0.00 +0.084 C ATOM 25 C LIG 1 6.025 2.881 -1.976 0.00 0.00 +0.169 C ATOM 26 O LIG 1 4.785 3.642 -1.942 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 4.061 2.460 -2.387 0.00 0.00 +0.169 C ENDBRANCH 17 24 BRANCH 17 28 ATOM 28 O LIG 1 4.524 1.759 0.399 0.00 0.00 -0.376 OA ATOM 29 H LIG 1 4.732 2.674 0.133 0.00 0.00 +0.211 HD ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.054 -4.003 -0.159 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.226 -4.886 0.466 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -4.314 -4.487 0.004 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.775 -4.111 -1.487 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -4.918 0.188 2.046 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.308 1.397 1.321 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -4.490 1.853 0.922 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.430 1.217 0.392 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.752 1.029 1.189 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.376 2.120 0.294 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -6.947 2.648 0.047 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -6.154 0.328 -0.804 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9