REMARK Name = BDB019682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.949 0.792 1.434 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.037 0.226 0.159 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.258 0.217 -0.527 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.378 0.811 0.083 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -3.291 1.416 1.350 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.061 1.404 2.021 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.363 -0.369 -1.868 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.411 -1.755 -2.101 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.365 -2.746 -0.972 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -2.502 -2.295 -3.345 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -2.554 -1.444 -4.389 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -2.645 -1.974 -5.617 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -2.521 -0.070 -4.267 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -2.425 0.472 -2.989 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 15 N LIG 1 1.012 -0.360 2.407 0.00 0.00 -0.296 N ATOM 16 C LIG 1 0.346 0.834 2.146 0.00 0.00 +0.247 C ATOM 17 O LIG 1 0.773 1.941 2.464 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 0.449 -1.688 2.197 0.00 0.00 +0.132 C BRANCH 15 19 ATOM 19 C LIG 1 2.418 -0.291 2.799 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 4.811 -2.238 0.545 0.00 0.00 +0.124 A ATOM 21 C LIG 1 4.984 -1.341 -0.513 0.00 0.00 +0.091 A ATOM 22 C LIG 1 4.338 -0.101 -0.495 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.518 0.234 0.586 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.334 -0.653 1.654 0.00 0.00 -0.023 A ATOM 25 C LIG 1 3.988 -1.890 1.620 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 6.248 -3.884 -0.401 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.379 -3.479 0.649 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 4.416 0.861 -1.465 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 5.256 0.593 -2.580 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -4.491 2.088 1.969 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 N LIG 1 -4.842 3.309 1.265 0.00 0.00 -0.332 N ATOM 32 C LIG 1 -5.932 3.482 0.460 0.00 0.00 +0.199 A ATOM 33 N LIG 1 -5.987 4.705 -0.016 0.00 0.00 -0.244 NA ATOM 34 C LIG 1 -4.897 5.348 0.511 0.00 0.00 +0.130 A ATOM 35 C LIG 1 -4.174 4.501 1.319 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8