REMARK Name = BDB029306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.386 -1.457 -0.119 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.901 -1.988 -0.233 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.292 -3.136 -0.336 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.834 -0.855 -0.200 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.215 -0.877 -0.286 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.893 0.348 -0.243 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.154 1.548 -0.104 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.748 1.553 -0.009 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.104 0.321 -0.069 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.355 -0.002 -0.011 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.097 -2.153 -0.073 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.837 -1.518 0.020 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.609 -2.181 -0.161 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.649 -3.554 -0.406 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.868 -4.225 -0.502 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.068 -3.531 -0.350 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.486 -1.326 0.101 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.571 -0.323 1.316 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.144 -1.480 2.168 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.654 -2.092 0.841 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.170 -1.106 3.115 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.009 -0.795 3.855 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.935 -0.735 -1.256 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -7.284 2.026 -1.801 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -5.873 1.748 -1.827 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.247 0.547 -1.605 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -3.950 0.731 -1.747 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -3.723 2.055 -2.025 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -4.888 2.652 -2.079 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 0.979 2.840 0.123 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.400 3.220 -1.047 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.746 3.893 0.519 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.031 2.755 1.034 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.403 0.395 -0.332 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.969 0.782 0.957 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 5.719 0.063 1.639 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.413 0.994 0.983 0.00 0.00 +0.060 C ATOM 38 C LIG 1 8.302 -0.116 0.429 0.00 0.00 +0.094 C ATOM 39 C LIG 1 9.646 0.580 0.404 0.00 0.00 +0.250 C ATOM 40 F LIG 1 10.531 -0.061 -0.381 0.00 0.00 -0.206 F ATOM 41 F LIG 1 10.165 0.619 1.655 0.00 0.00 -0.206 F ATOM 42 C LIG 1 9.370 1.992 -0.084 0.00 0.00 +0.077 C ATOM 43 C LIG 1 7.899 2.257 0.256 0.00 0.00 +0.024 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9