REMARK Name = BDB050454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.163 0.284 0.981 0.00 0.00 +0.089 A ATOM 2 C LIG 1 0.051 1.598 1.404 0.00 0.00 +0.235 A ATOM 3 F LIG 1 1.127 2.252 0.931 0.00 0.00 -0.182 F ATOM 4 N LIG 1 -0.740 2.270 2.266 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -1.817 1.602 2.734 0.00 0.00 +0.119 A ATOM 6 C LIG 1 -2.147 0.297 2.373 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -1.284 -0.368 1.489 0.00 0.00 +0.034 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 -0.105 -2.427 -0.238 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 0.751 -1.571 -0.444 0.00 0.00 +0.222 C ATOM 10 N LIG 1 0.759 -0.296 0.085 0.00 0.00 -0.282 N ATOM 11 H LIG 1 1.552 0.294 -0.182 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 1.921 -1.857 -1.385 0.00 0.00 +0.090 C ATOM 13 C LIG 1 3.261 -1.503 -0.748 0.00 0.00 +0.097 C ATOM 14 N LIG 1 3.405 -0.098 -1.136 0.00 0.00 -0.297 NA ATOM 15 C LIG 1 3.036 -0.032 -2.546 0.00 0.00 +0.085 C ATOM 16 C LIG 1 1.859 -1.001 -2.654 0.00 0.00 +0.029 C BRANCH 14 17 ATOM 17 C LIG 1 4.671 0.542 -0.778 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 C LIG 1 5.935 -0.062 -1.343 0.00 0.00 -0.031 A ATOM 19 C LIG 1 6.457 0.371 -2.565 0.00 0.00 +0.024 A ATOM 20 C LIG 1 7.622 -0.213 -3.039 0.00 0.00 +0.111 A ATOM 21 N LIG 1 8.295 -1.183 -2.387 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 7.783 -1.584 -1.204 0.00 0.00 +0.111 A ATOM 23 C LIG 1 6.624 -1.062 -0.648 0.00 0.00 +0.024 A ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 24 ATOM 24 C LIG 1 -3.367 -0.389 2.938 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 N LIG 1 -4.627 0.265 2.575 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -5.238 0.052 1.301 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -6.417 0.735 0.980 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -7.050 0.570 -0.260 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -6.507 -0.292 -1.206 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.339 -0.987 -0.906 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.009 1.649 1.968 0.00 0.00 +0.262 A ATOM 32 O LIG 1 -8.019 2.298 1.727 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -6.362 1.733 3.167 0.00 0.00 -0.274 N ATOM 34 H LIG 1 -6.749 2.371 3.846 0.00 0.00 +0.173 HD ATOM 35 C LIG 1 -4.712 -0.819 0.335 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -5.191 1.124 3.510 0.00 0.00 +0.330 A ATOM 37 O LIG 1 -4.687 1.367 4.605 0.00 0.00 -0.246 OA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 6