REMARK Name = BDB027471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.024 -0.276 1.042 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.794 -0.856 0.062 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.460 -2.156 -0.329 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.590 -2.874 0.138 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.394 -2.286 1.053 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.127 -1.004 1.529 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.546 -3.091 1.507 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.762 -2.499 1.896 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.832 -3.284 2.323 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.974 -2.686 2.691 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.723 -4.666 2.367 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.754 -5.414 2.780 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.543 -5.284 1.981 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.466 -4.500 1.554 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.910 -0.158 -0.442 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.934 -0.044 -1.922 0.00 0.00 +0.131 C ATOM 17 C LIG 1 3.310 0.488 -2.452 0.00 0.00 +0.056 C ATOM 18 C LIG 1 4.400 -0.541 -2.054 0.00 0.00 +0.029 C ATOM 19 C LIG 1 4.107 -1.297 -0.750 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.173 -0.570 0.208 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 3.529 1.917 -1.996 0.00 0.00 +0.066 C ATOM 22 C LIG 1 4.446 2.425 -1.168 0.00 0.00 +0.268 C ATOM 23 F LIG 1 4.424 3.749 -0.904 0.00 0.00 -0.173 F ATOM 24 F LIG 1 5.366 1.651 -0.560 0.00 0.00 -0.173 F ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 N LIG 1 3.309 0.562 -3.931 0.00 0.00 -0.320 NA ATOM 26 H LIG 1 2.501 1.095 -4.256 0.00 0.00 +0.119 HD ATOM 27 H LIG 1 3.199 -0.370 -4.332 0.00 0.00 +0.119 HD ENDBRANCH 17 25 ENDBRANCH 2 15 BRANCH 1 28 ATOM 28 C LIG 1 0.211 1.120 1.563 0.00 0.00 +0.161 C BRANCH 28 33 ATOM 29 C LIG 1 -3.202 4.018 -0.293 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -1.918 3.465 -0.146 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -0.712 3.728 -0.769 0.00 0.00 -0.231 NA ATOM 32 C LIG 1 0.143 2.906 -0.197 0.00 0.00 +0.202 A ATOM 33 N LIG 1 -0.456 2.113 0.744 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.774 2.476 0.816 0.00 0.00 +0.166 A ATOM 35 N LIG 1 -2.725 1.990 1.633 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -3.906 2.604 1.408 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -4.193 3.576 0.514 0.00 0.00 -0.219 NA BRANCH 29 38 ATOM 38 N LIG 1 -3.498 5.020 -1.209 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -4.318 5.548 -0.940 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -2.680 5.539 -1.508 0.00 0.00 +0.144 HD ENDBRANCH 29 38 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 7