REMARK Name = BDB038543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.643 -0.667 -0.624 0.00 0.00 -0.021 A ATOM 2 C LIG 1 2.194 0.451 -1.368 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.881 0.948 -1.247 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.029 0.286 -0.368 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -1.400 0.561 -0.029 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.722 -0.465 0.958 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.627 -1.300 1.198 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.500 -2.269 1.924 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.475 -0.811 0.359 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.763 -1.307 0.256 0.00 0.00 +0.019 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.017 -0.579 1.535 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.031 0.331 1.190 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -5.348 0.219 1.680 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -5.627 -0.811 2.587 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -4.630 -1.706 2.969 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.340 -1.593 2.442 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.406 1.153 1.235 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -6.698 1.392 -0.133 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -7.682 2.331 -0.487 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -8.399 3.018 0.492 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.136 2.779 1.835 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.149 1.861 2.202 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -5.994 0.710 -1.218 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -6.080 -0.624 -1.531 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -6.904 -1.631 -0.922 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -5.222 -0.829 -2.568 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -4.649 0.303 -2.897 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.149 1.276 -2.062 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 0.412 2.132 -2.050 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.455 1.774 -3.034 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.240 3.052 -1.288 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.422 2.807 -2.667 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.059 -1.161 -0.790 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 O LIG 1 4.946 -0.113 -0.404 0.00 0.00 -0.372 OA BRANCH 34 39 ATOM 35 C LIG 1 10.490 -0.820 -0.223 0.00 0.00 +0.104 C ATOM 36 N LIG 1 9.045 -0.767 -0.432 0.00 0.00 -0.305 NA ATOM 37 C LIG 1 8.618 0.598 -0.783 0.00 0.00 +0.086 C ATOM 38 C LIG 1 7.131 0.857 -0.524 0.00 0.00 +0.047 C ATOM 39 C LIG 1 6.323 -0.431 -0.632 0.00 0.00 +0.121 C ATOM 40 C LIG 1 6.834 -1.461 0.385 0.00 0.00 +0.047 C ATOM 41 C LIG 1 8.315 -1.277 0.729 0.00 0.00 +0.086 C ENDBRANCH 34 39 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 7