REMARK Name = BDB026308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.365 -0.588 0.214 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.209 0.795 0.039 0.00 0.00 +0.134 A ATOM 3 F LIG 1 2.272 1.615 0.080 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.043 1.381 -0.152 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.196 0.594 -0.172 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.063 -0.801 0.020 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.199 -1.377 0.199 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.495 1.131 -0.339 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.992 1.837 0.873 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.071 3.380 0.679 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.619 4.018 1.960 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.915 3.794 -0.477 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -3.462 5.074 -1.027 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.949 2.753 -1.530 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.677 1.882 -1.602 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 18 ATOM 16 C LIG 1 4.913 -1.220 -0.268 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.675 -0.719 -0.390 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 2.692 -1.196 0.404 0.00 0.00 +0.079 A ATOM 19 C LIG 1 2.925 -2.201 1.318 0.00 0.00 +0.048 A ATOM 20 C LIG 1 4.211 -2.671 1.372 0.00 0.00 +0.116 A ATOM 21 N LIG 1 5.206 -2.201 0.601 0.00 0.00 -0.223 NA BRANCH 16 27 ATOM 22 C LIG 1 6.101 2.155 0.143 0.00 0.00 +0.039 C ATOM 23 C LIG 1 6.573 1.674 -1.227 0.00 0.00 +0.133 C ATOM 24 O LIG 1 7.977 1.355 -1.135 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.271 -0.036 -1.329 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.287 -0.952 -0.590 0.00 0.00 +0.136 C ATOM 27 N LIG 1 5.923 -0.726 -1.077 0.00 0.00 -0.295 N ATOM 28 C LIG 1 5.691 0.535 -1.789 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 18 BRANCH 6 29 ATOM 29 N LIG 1 -2.267 -1.534 0.008 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.074 -0.934 -0.153 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.451 -2.870 0.267 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -1.605 -3.694 0.584 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.860 -3.325 0.159 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.449 -4.094 1.180 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -5.773 -4.537 1.004 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -6.479 -4.209 -0.149 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -7.739 -4.637 -0.293 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -5.897 -3.446 -1.153 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -4.583 -3.005 -1.004 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.705 -4.444 2.446 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.014 -3.399 2.977 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.834 -5.475 2.296 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.555 -4.839 3.442 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6