REMARK Name = BDB058305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.835 -1.142 -0.577 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.733 0.171 -0.968 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.521 1.129 -0.360 0.00 0.00 +0.258 A ATOM 4 O LIG 1 1.460 2.332 -0.616 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 2.476 0.658 0.677 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.496 -0.659 0.946 0.00 0.00 +0.055 A ATOM 7 N LIG 1 1.660 -1.554 0.330 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 3.460 -1.303 1.943 0.00 0.00 +0.032 C ATOM 9 C LIG 1 2.713 -1.779 3.191 0.00 0.00 +0.014 C ATOM 10 C LIG 1 4.244 -2.459 1.309 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -0.014 -2.216 -1.242 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 0.713 -2.797 -2.456 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 -0.671 -4.935 -2.588 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -0.178 -3.695 -3.316 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -0.186 0.637 -2.010 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -1.614 0.824 -1.536 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -2.675 0.325 -2.306 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.999 0.485 -1.888 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -4.298 1.152 -0.694 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -3.240 1.681 0.057 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -1.915 1.526 -0.361 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -5.687 1.310 -0.246 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -6.366 0.340 0.519 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -7.679 0.566 0.962 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -8.331 1.757 0.645 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -7.675 2.724 -0.112 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.367 2.503 -0.551 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -5.736 -0.934 0.883 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -5.708 -1.317 2.166 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -6.022 -0.827 2.984 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -5.061 -2.491 2.198 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -4.815 -3.140 3.202 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -4.724 -2.841 0.915 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -5.189 -1.778 0.075 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 3.316 1.738 1.301 0.00 0.00 +0.163 C BRANCH 35 36 ATOM 36 C LIG 1 4.423 2.159 0.355 0.00 0.00 +0.312 C ATOM 37 O LIG 1 4.832 1.513 -0.600 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 4.945 3.349 0.775 0.00 0.00 -0.464 OA BRANCH 38 39 ATOM 39 C LIG 1 6.017 3.876 -0.021 0.00 0.00 +0.232 C BRANCH 39 40 ATOM 40 C LIG 1 7.361 3.296 0.410 0.00 0.00 +0.038 C ATOM 41 C LIG 1 7.683 3.602 1.866 0.00 0.00 +0.007 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 13