REMARK Name = BDB039936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.719 1.056 1.006 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.393 0.725 1.788 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.503 0.533 2.985 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.541 0.621 0.878 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.855 0.313 1.177 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.779 0.267 0.123 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.342 0.530 -1.197 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.999 0.845 -1.485 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.108 0.882 -0.416 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.359 1.171 -0.403 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.417 1.740 0.976 0.00 0.00 -0.006 A ATOM 12 C LIG 1 -3.079 1.566 0.564 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.048 1.261 1.470 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.386 1.160 2.822 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.703 1.343 3.255 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.712 1.625 2.339 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.552 1.997 -0.019 0.00 0.00 +0.172 C ATOM 18 F LIG 1 -6.648 2.534 0.634 0.00 0.00 -0.234 F ATOM 19 C LIG 1 -5.183 3.067 -1.056 0.00 0.00 +0.056 C BRANCH 17 20 ATOM 20 C LIG 1 -6.057 0.684 -0.676 0.00 0.00 +0.274 C ATOM 21 F LIG 1 -6.601 -0.116 0.296 0.00 0.00 -0.233 F BRANCH 20 24 ATOM 22 C LIG 1 -4.741 -2.055 0.105 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -4.444 -1.257 -1.055 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -5.008 -0.063 -1.435 0.00 0.00 +0.171 A ATOM 25 N LIG 1 -4.432 0.329 -2.555 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 -3.473 -0.592 -2.894 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -3.499 -1.544 -1.992 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.536 1.099 -2.896 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.793 0.069 -3.382 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.755 2.209 -2.995 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.557 1.279 -3.778 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.232 -0.070 0.400 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.386 -1.445 0.905 0.00 0.00 -0.292 NA ATOM 34 C LIG 1 6.818 -1.738 1.148 0.00 0.00 +0.126 C ATOM 35 C LIG 1 6.923 -2.409 -0.242 0.00 0.00 +0.134 C ATOM 36 F LIG 1 7.468 -1.635 -1.216 0.00 0.00 -0.240 F ATOM 37 C LIG 1 7.594 -3.769 -0.266 0.00 0.00 +0.050 C ATOM 38 C LIG 1 5.376 -2.426 -0.206 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7