REMARK Name = BDB034265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.557 -0.010 0.749 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -2.658 -0.929 0.188 0.00 0.00 +0.063 A ATOM 3 C LIG 1 -1.297 -0.846 0.542 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.803 0.126 1.450 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.721 1.053 1.988 0.00 0.00 +0.073 A ATOM 6 N LIG 1 -1.362 2.038 2.822 0.00 0.00 -0.255 NA ATOM 7 C LIG 1 -0.059 2.152 3.131 0.00 0.00 +0.113 A ATOM 8 C LIG 1 0.923 1.298 2.666 0.00 0.00 +0.043 A ATOM 9 C LIG 1 0.565 0.229 1.843 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -3.061 0.962 1.637 0.00 0.00 +0.037 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -6.863 0.699 -0.965 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -5.491 0.693 -0.664 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -4.992 -0.017 0.440 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -5.894 -0.724 1.248 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -7.258 -0.732 0.955 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.740 -0.028 -0.148 0.00 0.00 +0.012 A BRANCH 11 18 ATOM 17 F LIG 1 -6.609 2.514 -2.513 0.00 0.00 -0.166 F ATOM 18 C LIG 1 -7.381 1.444 -2.171 0.00 0.00 +0.417 C ATOM 19 F LIG 1 -7.444 0.657 -3.280 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -8.638 1.938 -1.992 0.00 0.00 -0.166 F ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 2 21 ATOM 21 C LIG 1 -3.113 -1.996 -0.784 0.00 0.00 +0.418 C ATOM 22 F LIG 1 -2.097 -2.806 -1.204 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -4.043 -2.837 -0.254 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -3.658 -1.483 -1.921 0.00 0.00 -0.166 F ENDBRANCH 2 21 BRANCH 9 25 ATOM 25 N LIG 1 1.516 -0.658 1.315 0.00 0.00 -0.343 N ATOM 26 H LIG 1 1.146 -1.601 1.215 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 2.915 -0.679 1.739 0.00 0.00 +0.103 C BRANCH 27 28 ATOM 28 C LIG 1 3.763 0.290 0.912 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 3.940 -0.146 -0.547 0.00 0.00 +0.083 C BRANCH 29 30 ATOM 30 N LIG 1 4.654 -1.417 -0.713 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 4.537 -1.725 -1.682 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 6.101 -1.326 -0.480 0.00 0.00 +0.155 C BRANCH 32 33 ATOM 33 C LIG 1 6.815 -0.579 -1.552 0.00 0.00 +0.119 A ATOM 34 O LIG 1 6.705 -1.074 -2.821 0.00 0.00 -0.467 OA ATOM 35 C LIG 1 7.420 -0.251 -3.630 0.00 0.00 +0.195 A ATOM 36 C LIG 1 7.990 0.766 -2.901 0.00 0.00 +0.041 A ATOM 37 C LIG 1 7.601 0.555 -1.556 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 9 25 TORSDOF 10