REMARK Name = BDB035834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.455 -1.196 -1.579 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.107 -0.115 -0.891 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.407 0.750 -0.204 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.558 -0.181 -1.103 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.538 0.679 -0.641 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.871 0.401 -0.971 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.163 -0.734 -1.769 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.153 -1.601 -2.231 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.842 -1.298 -1.879 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.573 -2.018 -2.204 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.208 -0.921 -1.231 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.824 -0.633 -1.196 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.837 -1.512 -1.671 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.261 -2.717 -2.241 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.616 -3.041 -2.299 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.569 -2.159 -1.793 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.479 1.877 -1.077 0.00 0.00 +0.120 C ATOM 18 C LIG 1 6.487 0.441 -1.639 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.313 0.088 -0.657 0.00 0.00 +0.060 C ATOM 20 C LIG 1 5.015 1.625 -0.651 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 5.822 -0.423 0.761 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.090 -0.605 1.904 0.00 0.00 -0.320 N ATOM 23 C LIG 1 3.685 -0.386 2.110 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.968 -1.049 2.845 0.00 0.00 +0.224 A ATOM 25 N LIG 1 7.169 -1.131 2.322 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 7.078 -0.739 1.009 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 6.694 4.247 -1.538 0.00 0.00 +0.194 C ATOM 28 O LIG 1 6.685 2.922 -2.050 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.469 -2.810 -3.071 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -3.039 -3.964 -2.489 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.796 -2.980 -3.313 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.864 -2.762 -4.289 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.994 1.304 -0.491 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.525 1.031 0.851 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -4.619 1.369 1.943 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -5.363 2.118 3.053 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -6.303 1.279 3.913 0.00 0.00 +0.001 C ATOM 38 C LIG 1 -7.348 0.478 3.142 0.00 0.00 +0.001 C ATOM 39 C LIG 1 -6.721 -0.660 2.344 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -6.196 -0.262 0.961 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7