REMARK Name = BDB040347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.341 0.287 -1.905 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.211 0.710 -1.324 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.479 -0.112 -0.514 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.022 -1.402 -0.256 0.00 0.00 +0.048 A ATOM 5 C LIG 1 1.180 -1.879 -0.816 0.00 0.00 -0.030 A ATOM 6 C LIG 1 1.848 -0.985 -1.661 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.665 0.364 0.086 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -2.229 1.616 -0.159 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.890 2.536 -0.881 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.443 1.693 0.663 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.351 2.731 0.771 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.433 2.555 1.633 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.585 1.357 2.357 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.659 0.304 2.231 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -3.580 0.500 1.369 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -2.446 -0.414 1.027 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -4.814 -0.974 3.014 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -3.928 -1.054 4.043 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -6.050 -1.129 3.565 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -4.602 -2.082 2.249 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 1.777 -3.323 -0.433 0.00 0.00 +0.049 C ATOM 22 C LIG 1 2.433 -4.147 -1.572 0.00 0.00 +0.174 C ATOM 23 O LIG 1 1.486 -5.219 -1.431 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 0.797 -4.524 -0.365 0.00 0.00 +0.174 C BRANCH 21 25 ATOM 25 C LIG 1 2.717 -3.205 0.786 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 2.012 -2.636 1.975 0.00 0.00 +0.134 A ATOM 27 N LIG 1 2.205 -1.389 2.512 0.00 0.00 -0.320 N ATOM 28 C LIG 1 3.112 -0.351 2.099 0.00 0.00 +0.151 C ATOM 29 C LIG 1 1.304 -1.271 3.527 0.00 0.00 +0.224 A ATOM 30 N LIG 1 0.580 -2.361 3.600 0.00 0.00 -0.138 NA ATOM 31 N LIG 1 1.033 -3.225 2.633 0.00 0.00 -0.135 NA ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 5 21 BRANCH 1 32 ATOM 32 N LIG 1 2.082 1.132 -2.759 0.00 0.00 -0.326 N ATOM 33 H LIG 1 2.184 0.641 -3.643 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 C LIG 1 1.516 2.483 -2.956 0.00 0.00 +0.068 C ATOM 35 C LIG 1 2.066 3.030 -4.280 0.00 0.00 +0.028 C BRANCH 34 37 ATOM 36 C LIG 1 1.283 4.770 -1.832 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.913 3.386 -1.773 0.00 0.00 +0.018 C ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 8