REMARK Name = BDB033076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.087 -1.878 0.611 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.211 -1.084 0.779 0.00 0.00 +0.130 C ATOM 3 N LIG 1 -2.220 -1.974 0.255 0.00 0.00 -0.295 N ATOM 4 C LIG 1 -1.681 -2.921 -0.597 0.00 0.00 +0.218 C ATOM 5 O LIG 1 -2.296 -3.736 -1.266 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -0.186 -2.740 -0.622 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.684 -0.215 1.475 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.286 -1.066 0.463 0.00 0.00 -0.306 N ATOM 9 H LIG 1 2.005 -1.412 -0.161 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 1.019 -0.027 2.491 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 4.865 1.235 -0.033 0.00 0.00 +0.121 A ATOM 12 C LIG 1 3.616 0.613 0.081 0.00 0.00 +0.062 A ATOM 13 C LIG 1 3.003 0.459 1.332 0.00 0.00 +0.081 A ATOM 14 C LIG 1 3.646 0.970 2.468 0.00 0.00 +0.129 A ATOM 15 C LIG 1 4.891 1.584 2.361 0.00 0.00 +0.050 A ATOM 16 C LIG 1 5.504 1.713 1.112 0.00 0.00 +0.049 A BRANCH 11 18 ATOM 17 C LIG 1 6.598 1.961 -1.492 0.00 0.00 +0.277 C ATOM 18 O LIG 1 5.345 1.310 -1.311 0.00 0.00 -0.495 OA ENDBRANCH 11 18 BRANCH 14 19 ATOM 19 O LIG 1 3.112 0.904 3.728 0.00 0.00 -0.506 OA ATOM 20 H LIG 1 2.186 0.583 3.648 0.00 0.00 +0.292 HD ENDBRANCH 14 19 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -3.641 -1.699 0.363 0.00 0.00 +0.143 C BRANCH 21 22 ATOM 22 C LIG 1 -4.085 -0.574 -0.554 0.00 0.00 -0.018 A ATOM 23 C LIG 1 -4.445 0.708 -0.077 0.00 0.00 +0.059 A ATOM 24 C LIG 1 -4.830 1.698 -1.003 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -4.862 1.432 -2.372 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.514 0.171 -2.839 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.130 -0.823 -1.939 0.00 0.00 +0.006 A BRANCH 23 28 ATOM 28 C LIG 1 -4.443 1.046 1.397 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.221 0.880 1.972 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -4.804 2.333 1.666 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -5.304 0.268 2.111 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7