REMARK Name = BDB025630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.742 0.991 -0.159 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.566 -0.343 -0.594 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.619 -1.038 -1.201 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.878 -0.435 -1.385 0.00 0.00 +0.022 A ATOM 5 C LIG 1 3.029 0.887 -0.937 0.00 0.00 +0.133 A ATOM 6 F LIG 1 4.211 1.510 -1.070 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.989 1.593 -0.334 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -2.045 4.496 2.901 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -1.060 4.222 1.857 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -1.723 3.710 0.637 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -0.778 2.879 -0.256 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -0.351 1.648 0.458 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -0.168 1.828 1.925 0.00 0.00 +0.120 C ATOM 14 C LIG 1 0.005 3.310 2.327 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 3.986 -1.169 -2.017 0.00 0.00 +0.021 A ATOM 16 C LIG 1 4.279 -2.495 -1.735 0.00 0.00 +0.124 A ATOM 17 N LIG 1 5.286 -3.201 -2.298 0.00 0.00 -0.226 NA ATOM 18 C LIG 1 6.037 -2.534 -3.193 0.00 0.00 +0.232 A ATOM 19 N LIG 1 5.862 -1.251 -3.557 0.00 0.00 -0.226 NA ATOM 20 C LIG 1 4.839 -0.604 -2.954 0.00 0.00 +0.124 A BRANCH 18 21 ATOM 21 C LIG 1 7.119 -3.255 -3.813 0.00 0.00 +0.140 C ATOM 22 N LIG 1 7.993 -3.836 -4.316 0.00 0.00 -0.188 NA ENDBRANCH 18 21 ENDBRANCH 4 15 BRANCH 2 23 ATOM 23 N LIG 1 -0.714 -0.890 -0.367 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -1.333 -0.223 0.091 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -1.171 -2.144 -0.684 0.00 0.00 +0.250 C ATOM 26 O LIG 1 -0.566 -3.034 -1.267 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.588 -2.354 -0.276 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -3.026 -2.462 1.112 0.00 0.00 +0.073 A ATOM 29 C LIG 1 -4.332 -2.665 1.375 0.00 0.00 +0.083 A ATOM 30 C LIG 1 -5.319 -2.776 0.271 0.00 0.00 +0.249 A ATOM 31 O LIG 1 -6.510 -2.940 0.501 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 -4.806 -2.681 -0.998 0.00 0.00 -0.328 N ATOM 33 H LIG 1 -5.476 -2.777 -1.753 0.00 0.00 +0.168 HD ATOM 34 C LIG 1 -3.476 -2.483 -1.275 0.00 0.00 +0.099 A BRANCH 28 35 ATOM 35 C LIG 1 -2.003 -2.381 2.202 0.00 0.00 +0.418 C ATOM 36 F LIG 1 -2.521 -2.693 3.420 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -0.956 -3.216 2.002 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.503 -1.124 2.317 0.00 0.00 -0.166 F ENDBRANCH 28 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 6