REMARK Name = BDB026283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.370 -1.237 -0.373 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.585 -0.060 -0.439 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.720 -0.127 -0.953 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.268 -1.337 -1.415 0.00 0.00 +0.038 A ATOM 5 C LIG 1 0.482 -2.486 -1.344 0.00 0.00 +0.134 A ATOM 6 F LIG 1 0.952 -3.676 -1.749 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.811 -2.439 -0.833 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.362 -2.605 -0.992 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.132 -1.261 -0.285 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.348 -1.244 1.181 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.673 -1.682 1.597 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.239 -1.793 1.997 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.161 -3.324 2.095 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.855 -1.216 1.573 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.677 -1.320 0.117 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.740 -0.683 -0.678 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.633 -1.351 -1.930 0.00 0.00 +0.081 A ATOM 18 N LIG 1 3.563 -0.418 -1.496 0.00 0.00 -0.243 NA ATOM 19 C LIG 1 4.725 -0.613 -2.087 0.00 0.00 +0.093 A ATOM 20 S LIG 1 4.752 -1.898 -3.233 0.00 0.00 -0.079 S ATOM 21 C LIG 1 3.108 -2.232 -2.882 0.00 0.00 +0.075 A BRANCH 19 22 ATOM 22 C LIG 1 5.960 0.228 -1.856 0.00 0.00 +0.147 C BRANCH 22 23 ATOM 23 N LIG 1 6.516 0.103 -0.494 0.00 0.00 -0.292 NA ATOM 24 C LIG 1 7.443 1.217 -0.212 0.00 0.00 +0.113 C ATOM 25 C LIG 1 8.421 0.871 0.919 0.00 0.00 +0.175 C ATOM 26 O LIG 1 9.293 -0.215 0.574 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.693 -1.154 -0.330 0.00 0.00 +0.175 C ATOM 28 C LIG 1 7.160 -1.200 -0.234 0.00 0.00 +0.113 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.148 1.148 0.032 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.077 1.046 0.414 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.607 2.412 0.004 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.468 2.776 -0.446 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.513 3.413 0.631 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.579 4.088 -0.096 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.355 4.979 0.553 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.126 5.275 1.990 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -3.829 6.076 2.592 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.090 4.595 2.582 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -1.922 4.812 3.559 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.294 3.689 1.927 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.769 3.770 -1.547 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.086 2.462 -1.730 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.667 4.028 -2.288 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.784 4.485 -2.100 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7