REMARK Name = BDB027247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.424 -1.399 -1.113 0.00 0.00 +0.053 A ATOM 2 C LIG 1 1.686 -0.820 -0.904 0.00 0.00 -0.003 A ATOM 3 C LIG 1 2.695 -1.585 -0.281 0.00 0.00 +0.035 A ATOM 4 C LIG 1 2.438 -2.893 0.130 0.00 0.00 +0.071 A ATOM 5 N LIG 1 1.224 -3.457 -0.054 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.271 -2.713 -0.665 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.447 -3.745 0.792 0.00 0.00 +0.003 A ATOM 8 C LIG 1 3.057 -4.697 1.752 0.00 0.00 +0.048 A ATOM 9 C LIG 1 3.999 -5.501 2.385 0.00 0.00 +0.124 A ATOM 10 F LIG 1 3.598 -6.395 3.299 0.00 0.00 -0.205 F ATOM 11 C LIG 1 5.350 -5.393 2.086 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.764 -4.468 1.133 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.821 -3.655 0.493 0.00 0.00 +0.010 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 -2.765 -0.322 -0.448 0.00 0.00 +0.041 C ATOM 15 C LIG 1 -1.373 0.238 -0.900 0.00 0.00 +0.127 C ATOM 16 N LIG 1 -0.601 -0.697 -1.738 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -1.268 -1.310 -2.892 0.00 0.00 +0.105 C ATOM 18 C LIG 1 -2.773 -1.056 -2.883 0.00 0.00 +0.021 C ATOM 19 C LIG 1 -3.334 -1.322 -1.491 0.00 0.00 +0.025 C BRANCH 14 20 ATOM 20 N LIG 1 -2.690 -1.055 0.836 0.00 0.00 -0.323 NA ATOM 21 H LIG 1 -2.394 -0.391 1.563 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -1.922 -1.726 0.790 0.00 0.00 +0.119 HD ENDBRANCH 14 20 BRANCH 14 23 ATOM 23 C LIG 1 -3.770 0.853 -0.295 0.00 0.00 +0.119 C BRANCH 23 27 ATOM 24 C LIG 1 -3.850 4.238 1.387 0.00 0.00 +0.128 C ATOM 25 N LIG 1 -4.085 3.105 0.527 0.00 0.00 -0.318 N ATOM 26 H LIG 1 -4.975 3.045 0.050 0.00 0.00 +0.148 HD ATOM 27 C LIG 1 -3.317 1.964 0.638 0.00 0.00 +0.215 C ATOM 28 O LIG 1 -2.377 1.857 1.417 0.00 0.00 -0.276 OA ENDBRANCH 23 27 ENDBRANCH 14 23 ENDBRANCH 1 16 BRANCH 2 29 ATOM 29 C LIG 1 2.016 0.584 -1.365 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 N LIG 1 1.752 1.601 -0.362 0.00 0.00 -0.310 N ATOM 31 C LIG 1 1.057 2.765 -0.566 0.00 0.00 +0.166 A ATOM 32 C LIG 1 1.110 3.429 0.650 0.00 0.00 +0.147 A ATOM 33 C LIG 1 0.439 4.660 0.727 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -0.216 5.113 -0.366 0.00 0.00 -0.219 NA ATOM 35 C LIG 1 -0.168 4.365 -1.490 0.00 0.00 +0.225 A ATOM 36 N LIG 1 1.844 2.711 1.571 0.00 0.00 -0.231 NA ATOM 37 N LIG 1 0.443 3.179 -1.688 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 2.218 1.625 0.928 0.00 0.00 +0.202 A BRANCH 33 39 ATOM 39 N LIG 1 0.402 5.433 1.884 0.00 0.00 -0.341 N ATOM 40 H LIG 1 -0.404 6.043 1.896 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 0.581 4.882 2.717 0.00 0.00 +0.144 HD ENDBRANCH 33 39 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8