REMARK Name = BDB037907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.434 -0.164 -0.021 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.859 -1.365 0.228 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.513 -1.458 0.098 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.332 -0.416 -0.287 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.280 0.816 -0.557 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.675 0.933 -0.418 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.729 -0.079 0.434 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.072 -1.205 -0.064 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.778 -2.286 -0.432 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.684 -1.237 -0.200 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.899 -0.123 0.136 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.577 1.003 0.630 0.00 0.00 +0.136 A ATOM 13 F LIG 1 3.894 2.098 0.996 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.968 1.034 0.782 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.770 0.868 1.217 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.091 -0.170 0.516 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.727 -0.548 -0.409 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.415 -0.467 0.905 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.925 -0.905 0.835 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.431 -0.703 -0.615 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.608 -1.474 -1.659 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.152 -1.681 -1.242 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.060 -2.359 1.121 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -5.035 -2.655 1.105 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.653 -2.617 2.017 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.804 -0.051 1.808 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -4.461 -0.228 3.291 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -3.182 0.136 3.543 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.249 0.612 4.020 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.735 1.345 1.447 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.139 1.853 2.179 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.524 2.009 -1.014 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -1.018 1.867 -2.369 0.00 0.00 -0.315 N ATOM 34 C LIG 1 -2.304 2.045 -2.779 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -2.364 1.932 -4.086 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -1.090 1.674 -4.541 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -0.295 1.629 -3.496 0.00 0.00 +0.225 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9