REMARK Name = BDB026202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.518 -1.427 0.246 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.608 -0.355 0.124 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.772 -0.596 0.128 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.293 -1.898 0.252 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.367 -2.946 0.366 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.770 -4.221 0.478 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.011 -2.723 0.365 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.756 -2.107 0.249 0.00 0.00 -0.023 C ATOM 9 C LIG 1 3.729 -0.978 0.050 0.00 0.00 +0.145 C ATOM 10 N LIG 1 5.029 -1.620 0.144 0.00 0.00 -0.277 N ATOM 11 C LIG 1 6.244 -1.120 -0.245 0.00 0.00 +0.305 C ATOM 12 N LIG 1 6.394 0.233 -0.422 0.00 0.00 -0.285 N ATOM 13 C LIG 1 7.649 0.738 -0.958 0.00 0.00 +0.109 C ATOM 14 C LIG 1 7.442 2.239 -1.066 0.00 0.00 +0.020 C ATOM 15 C LIG 1 6.555 2.529 0.134 0.00 0.00 +0.020 C ATOM 16 C LIG 1 5.627 1.319 0.174 0.00 0.00 +0.109 C ATOM 17 O LIG 1 7.196 -1.880 -0.449 0.00 0.00 -0.252 OA ATOM 18 C LIG 1 4.904 -3.052 0.333 0.00 0.00 +0.137 C ATOM 19 C LIG 1 3.432 -3.253 0.421 0.00 0.00 -0.002 C ENDBRANCH 4 8 BRANCH 1 26 ATOM 20 C LIG 1 -5.385 -3.522 -1.526 0.00 0.00 +0.026 C ATOM 21 C LIG 1 -4.729 -2.803 -0.341 0.00 0.00 +0.071 C ATOM 22 N LIG 1 -5.683 -2.233 0.650 0.00 0.00 -0.300 NA ATOM 23 C LIG 1 -6.921 -1.701 0.088 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -5.034 -1.204 1.502 0.00 0.00 +0.103 C ATOM 25 C LIG 1 -3.501 -1.342 1.593 0.00 0.00 +0.120 C ATOM 26 N LIG 1 -2.905 -1.144 0.248 0.00 0.00 -0.326 N ATOM 27 C LIG 1 -3.665 -1.789 -0.855 0.00 0.00 +0.123 C ENDBRANCH 1 26 BRANCH 2 28 ATOM 28 N LIG 1 -1.185 0.927 -0.011 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.203 0.890 0.022 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.551 2.128 -0.208 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.656 2.324 -0.300 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.499 3.267 -0.411 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -2.468 3.735 0.576 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -3.251 4.792 0.279 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -3.139 5.476 -1.034 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -3.858 6.426 -1.312 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.190 4.974 -1.886 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -2.098 5.450 -2.777 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -1.382 3.905 -1.588 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.556 3.060 1.909 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -3.156 1.847 1.785 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -1.331 2.840 2.451 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5