REMARK Name = BDB026091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.668 -0.597 -0.416 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.065 -1.785 -0.848 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.821 -2.821 -1.246 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.321 -1.946 -0.886 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.174 -0.919 -0.476 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.579 0.312 -0.090 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.186 0.453 -0.038 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.570 -1.053 -0.444 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.183 -1.167 0.904 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.517 -2.627 1.328 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.265 -3.363 1.829 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.288 -3.333 0.278 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.653 -4.699 0.638 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.595 -3.289 -1.022 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.257 -1.853 -1.479 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.909 -0.058 -0.332 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.117 0.898 -0.857 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 2.775 0.689 -0.871 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.132 -0.441 -0.372 0.00 0.00 +0.003 A ATOM 20 C LIG 1 2.969 -1.410 0.183 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.353 -1.218 0.206 0.00 0.00 +0.044 A BRANCH 16 27 ATOM 22 C LIG 1 9.092 -1.117 0.410 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.561 -0.677 -0.954 0.00 0.00 +0.132 C ATOM 24 O LIG 1 8.957 0.674 -1.256 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.230 1.647 -0.488 0.00 0.00 +0.179 C ATOM 26 C LIG 1 6.712 1.499 -0.658 0.00 0.00 +0.134 C ATOM 27 N LIG 1 6.305 0.126 -0.288 0.00 0.00 -0.311 N ATOM 28 C LIG 1 7.034 -0.881 -1.091 0.00 0.00 +0.137 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.474 1.375 0.169 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.438 1.123 -0.038 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.186 2.677 0.494 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.083 3.186 0.650 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.406 3.530 0.621 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.578 4.744 -0.174 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.679 5.500 0.002 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.708 5.114 0.998 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.714 5.790 1.171 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.455 3.963 1.704 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -6.154 3.713 2.394 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -4.333 3.190 1.532 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.518 5.088 -1.182 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -2.404 4.098 -2.108 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.849 6.209 -1.884 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6