REMARK Name = BDB048185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.017 -0.829 0.440 0.00 0.00 +0.404 C ATOM 2 N LIG 1 4.660 -0.773 0.168 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.136 0.485 -0.333 0.00 0.00 +0.146 C ATOM 4 C LIG 1 2.622 0.607 -0.327 0.00 0.00 -0.020 A ATOM 5 C LIG 1 1.808 -0.496 0.034 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.404 -0.372 0.063 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -0.185 0.834 -0.311 0.00 0.00 +0.046 A ATOM 8 C LIG 1 0.608 1.917 -0.690 0.00 0.00 +0.007 A ATOM 9 C LIG 1 2.454 -1.796 0.462 0.00 0.00 +0.058 C ATOM 10 C LIG 1 2.007 1.823 -0.704 0.00 0.00 -0.042 A ATOM 11 C LIG 1 3.861 -1.958 -0.097 0.00 0.00 +0.116 C ATOM 12 O LIG 1 6.749 0.154 0.430 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 6.441 -2.087 0.723 0.00 0.00 -0.437 OA BRANCH 13 14 ATOM 14 C LIG 1 7.839 -2.232 0.994 0.00 0.00 +0.322 C BRANCH 14 16 ATOM 15 C LIG 1 9.099 -3.095 -1.195 0.00 0.00 +0.007 C ATOM 16 C LIG 1 8.533 -2.708 -0.209 0.00 0.00 -0.065 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 O LIG 1 -0.283 -1.490 0.459 0.00 0.00 -0.491 OA BRANCH 17 18 ATOM 18 C LIG 1 -1.694 -1.399 0.667 0.00 0.00 +0.235 C BRANCH 18 19 ATOM 19 C LIG 1 -2.453 -1.711 -0.621 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 -3.921 -1.627 -0.434 0.00 0.00 +0.086 A ATOM 21 C LIG 1 -4.862 -2.633 -0.373 0.00 0.00 +0.126 A ATOM 22 C LIG 1 -4.823 -4.102 -0.464 0.00 0.00 +0.088 C ATOM 23 O LIG 1 -6.085 -2.051 -0.193 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 -5.821 -0.706 -0.150 0.00 0.00 +0.228 A ATOM 25 N LIG 1 -4.542 -0.407 -0.287 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 -6.962 0.186 0.039 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -8.273 -0.299 0.168 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -9.345 0.579 0.349 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -9.122 1.953 0.404 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.827 2.451 0.278 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.755 1.573 0.096 0.00 0.00 +0.013 A ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 10 32 ATOM 32 C LIG 1 2.796 3.057 -1.095 0.00 0.00 +0.046 C BRANCH 32 33 ATOM 33 C LIG 1 3.049 3.970 0.103 0.00 0.00 +0.125 C BRANCH 33 34 ATOM 34 C LIG 1 3.836 5.183 -0.304 0.00 0.00 +0.305 C ATOM 35 O LIG 1 4.197 5.490 -1.426 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 4.126 5.971 0.750 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 4.640 6.711 0.362 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 12