REMARK Name = BDB035370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.742 -0.731 0.271 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.370 -0.550 -1.083 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.027 -0.386 -1.474 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.065 -0.415 -0.471 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -1.420 -0.286 -0.557 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.862 -0.395 0.827 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.776 -0.585 1.689 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.725 -0.728 2.897 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.434 -0.596 0.858 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.750 -0.755 1.258 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.233 -0.312 1.195 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -4.230 -0.162 0.214 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -5.599 -0.084 0.546 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.967 -0.131 1.896 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.995 -0.280 2.880 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.644 -0.373 2.531 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.640 0.081 -0.561 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -7.833 -0.811 -0.369 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -7.806 -2.184 -0.454 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.677 -3.034 -0.720 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -9.075 -2.607 -0.207 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -9.846 -1.571 0.017 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -9.067 -0.446 -0.080 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.918 1.575 -0.725 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -7.735 2.388 0.294 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -8.368 3.123 -0.793 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.990 2.061 -1.715 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 0.689 -0.157 -2.922 0.00 0.00 +0.372 C ATOM 29 F LIG 1 1.300 -1.046 -3.751 0.00 0.00 -0.204 F ATOM 30 F LIG 1 -0.645 -0.266 -3.188 0.00 0.00 -0.204 F ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.201 -0.910 0.644 0.00 0.00 +0.120 C BRANCH 31 33 ATOM 32 C LIG 1 6.502 -0.108 0.394 0.00 0.00 +0.074 C ATOM 33 N LIG 1 5.053 0.218 0.231 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 4.672 1.461 0.940 0.00 0.00 +0.100 C ATOM 35 C LIG 1 5.768 2.542 0.879 0.00 0.00 +0.099 C ATOM 36 N LIG 1 6.988 2.136 1.592 0.00 0.00 -0.303 NA ATOM 37 C LIG 1 8.151 2.878 1.126 0.00 0.00 +0.105 C ATOM 38 C LIG 1 7.174 0.676 1.569 0.00 0.00 +0.103 C BRANCH 32 40 ATOM 39 C LIG 1 8.711 -0.301 -0.907 0.00 0.00 +0.009 C ATOM 40 C LIG 1 7.225 0.077 -0.980 0.00 0.00 +0.001 C ATOM 41 C LIG 1 6.573 -0.766 -2.087 0.00 0.00 +0.009 C ENDBRANCH 32 40 ENDBRANCH 31 33 ENDBRANCH 1 31 TORSDOF 8