REMARK Name = BDB054057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.516 1.161 -0.574 0.00 0.00 -0.241 N ATOM 2 C LIG 1 1.043 2.494 -0.621 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -0.355 2.453 -0.567 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -1.134 3.597 -0.586 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.482 4.839 -0.662 0.00 0.00 +0.057 A ATOM 6 C LIG 1 0.931 4.883 -0.696 0.00 0.00 +0.014 A ATOM 7 N LIG 1 -0.748 1.113 -0.485 0.00 0.00 -0.287 N ATOM 8 C LIG 1 1.700 3.711 -0.676 0.00 0.00 +0.029 A ATOM 9 C LIG 1 0.401 0.288 -0.527 0.00 0.00 +0.336 A ATOM 10 O LIG 1 0.368 -0.932 -0.560 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.409 -2.501 0.014 0.00 0.00 +0.124 A ATOM 12 C LIG 1 5.803 -1.265 -0.499 0.00 0.00 +0.095 A ATOM 13 C LIG 1 4.802 -0.300 -0.640 0.00 0.00 +0.173 A ATOM 14 C LIG 1 3.463 -0.475 -0.330 0.00 0.00 +0.066 A ATOM 15 C LIG 1 2.856 0.790 -0.656 0.00 0.00 +0.192 A ATOM 16 N LIG 1 3.809 1.643 -1.077 0.00 0.00 -0.059 NA ATOM 17 C LIG 1 3.095 -1.722 0.212 0.00 0.00 +0.019 A ATOM 18 O LIG 1 4.997 0.960 -1.089 0.00 0.00 -0.352 OA ATOM 19 C LIG 1 4.075 -2.719 0.368 0.00 0.00 +0.046 A BRANCH 11 21 ATOM 20 C LIG 1 7.599 -3.419 -0.140 0.00 0.00 +0.277 C ATOM 21 O LIG 1 6.233 -3.572 0.229 0.00 0.00 -0.495 OA ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 5 22 ATOM 22 C LIG 1 -1.285 6.119 -0.660 0.00 0.00 +0.417 C ATOM 23 F LIG 1 -0.651 7.151 -1.281 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -1.559 6.550 0.602 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -2.489 5.991 -1.282 0.00 0.00 -0.166 F ENDBRANCH 5 22 BRANCH 7 26 ATOM 26 C LIG 1 -2.102 0.607 -0.475 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 C LIG 1 -2.530 0.047 0.876 0.00 0.00 -0.020 A ATOM 28 C LIG 1 -3.226 -1.181 1.057 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.530 -1.570 2.388 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.213 -0.777 3.491 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.580 0.438 3.302 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.248 0.844 2.013 0.00 0.00 +0.006 A BRANCH 28 33 ATOM 33 C LIG 1 -3.668 -2.120 -0.079 0.00 0.00 +0.214 C ATOM 34 C LIG 1 -4.640 -1.474 -1.090 0.00 0.00 +0.290 C ATOM 35 O LIG 1 -4.380 -0.543 -1.838 0.00 0.00 -0.269 OA ATOM 36 N LIG 1 -5.861 -2.099 -1.056 0.00 0.00 -0.107 NA ATOM 37 C LIG 1 -5.699 -3.015 -0.186 0.00 0.00 +0.381 C ATOM 38 O LIG 1 -4.526 -3.171 0.441 0.00 0.00 -0.431 OA ATOM 39 C LIG 1 -2.517 -2.851 -0.769 0.00 0.00 +0.071 C BRANCH 37 40 ATOM 40 O LIG 1 -6.639 -3.883 0.177 0.00 0.00 -0.467 OA ATOM 41 H LIG 1 -7.443 -3.688 -0.331 0.00 0.00 +0.297 HD ENDBRANCH 37 40 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 7