REMARK Name = BDB035789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.327 0.442 -1.907 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.651 -0.924 -2.131 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.744 -1.968 -1.865 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.497 -1.613 -1.366 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.338 -2.476 -0.985 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.656 -1.522 -0.509 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.192 -0.207 -0.623 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.737 0.855 -0.382 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.176 -0.279 -1.151 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.055 0.758 -1.411 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.923 -1.933 -0.011 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.815 -1.017 0.568 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.084 -1.403 1.043 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.451 -2.751 0.925 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.575 -3.680 0.373 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.320 -3.275 -0.086 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.086 -0.428 1.656 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -6.207 -0.050 0.728 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.116 0.440 -0.553 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.946 0.706 -1.346 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -7.397 0.644 -0.972 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.231 0.315 -0.017 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.487 -0.119 1.050 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -4.445 0.815 2.266 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -3.538 0.603 3.489 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.246 1.623 4.233 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.322 1.597 3.261 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 3.110 -3.410 -2.088 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.319 -3.590 -2.684 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.149 -4.116 -0.925 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.203 -4.052 -2.877 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 3.841 2.893 -2.572 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.377 1.500 -2.212 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 5.519 1.539 -1.280 0.00 0.00 -0.304 NA ATOM 35 H LIG 1 6.179 2.241 -1.615 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 5.248 1.649 0.162 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.651 1.585 0.857 0.00 0.00 +0.022 C ATOM 38 C LIG 1 6.034 0.594 1.866 0.00 0.00 +0.004 C ATOM 39 C LIG 1 4.996 0.243 0.781 0.00 0.00 +0.022 C ATOM 40 C LIG 1 4.413 2.829 0.619 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8