REMARK Name = BDB025856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.519 -1.133 -0.077 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.795 0.026 -0.448 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.599 0.051 -0.357 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.299 -1.073 0.107 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.571 -2.213 0.472 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.201 -3.300 0.944 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.819 -2.249 0.386 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.171 -3.713 0.032 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.028 -2.407 -0.768 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.734 -1.263 -0.169 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.181 -1.382 -0.130 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.086 -0.686 1.032 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.778 -0.993 2.368 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.569 -1.026 1.171 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.932 -1.091 -0.157 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.523 -2.100 -1.070 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.768 -1.035 0.218 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.577 -2.067 -0.515 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.968 -2.227 0.101 0.00 0.00 +0.113 C ATOM 20 N LIG 1 5.622 -0.938 0.355 0.00 0.00 -0.297 N ATOM 21 C LIG 1 7.017 -0.936 0.290 0.00 0.00 +0.221 C ATOM 22 O LIG 1 7.619 -1.988 0.030 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 4.859 -0.003 1.179 0.00 0.00 +0.135 C ATOM 24 C LIG 1 3.375 -0.121 0.996 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 C LIG 1 7.838 0.370 0.496 0.00 0.00 +0.039 C ATOM 26 C LIG 1 7.742 0.922 1.925 0.00 0.00 +0.020 C ATOM 27 C LIG 1 7.457 1.428 -0.551 0.00 0.00 +0.020 C ATOM 28 C LIG 1 9.334 0.030 0.259 0.00 0.00 +0.020 C ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.584 1.104 -0.897 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.577 0.866 -0.894 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.177 2.342 -1.320 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.033 2.768 -1.409 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.322 3.196 -1.742 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.283 3.781 -0.814 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.288 4.537 -1.301 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.420 4.776 -2.760 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.336 5.452 -3.211 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.456 4.197 -3.548 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.536 4.372 -4.544 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.427 3.429 -3.060 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.100 3.557 0.655 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.322 2.262 0.998 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.856 3.879 1.083 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.966 4.295 1.399 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6