REMARK Name = BDB008798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.698 -1.090 0.885 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.351 -0.981 1.228 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.908 -1.431 2.459 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.431 -1.247 2.612 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 0.855 -0.692 1.491 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.692 -1.994 3.390 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.969 -2.086 2.973 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.202 -0.537 0.605 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.491 -1.676 1.800 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.259 -0.368 1.222 0.00 0.00 +0.018 A ATOM 11 C LIG 1 2.665 0.900 0.806 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.018 1.165 0.557 0.00 0.00 +0.024 A ATOM 13 C LIG 1 5.011 0.184 0.717 0.00 0.00 +0.030 A ATOM 14 C LIG 1 4.590 -1.071 1.175 0.00 0.00 +0.024 A ATOM 15 C LIG 1 3.237 -1.345 1.424 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 6.351 0.511 0.466 0.00 0.00 -0.326 N ATOM 17 C LIG 1 6.616 0.959 -0.925 0.00 0.00 +0.133 C ATOM 18 C LIG 1 8.040 1.529 -1.033 0.00 0.00 +0.178 C ATOM 19 O LIG 1 9.027 0.581 -0.595 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 8.786 0.225 0.776 0.00 0.00 +0.178 C ATOM 21 C LIG 1 7.400 -0.414 0.952 0.00 0.00 +0.133 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -3.208 -0.638 -0.320 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.772 0.228 -0.616 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -5.416 0.310 0.311 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.650 -0.639 -0.607 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -5.279 -2.032 -0.620 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.680 -3.055 -1.626 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.114 -3.578 -1.839 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -6.609 -2.182 -1.413 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -3.903 -2.723 3.967 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -5.099 -2.903 3.814 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.236 -3.086 5.099 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -2.281 -2.851 5.019 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.088 -0.152 -0.796 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.539 1.262 -1.106 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.791 2.238 -0.130 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.203 3.524 -0.493 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.375 3.868 -1.841 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.111 2.902 -2.819 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.699 1.617 -2.456 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -1.793 5.266 -2.229 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -0.734 6.117 -2.312 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.658 5.827 -1.339 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.416 5.323 -3.439 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10