REMARK Name = BDB022490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.264 0.980 -0.559 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.017 -0.279 0.029 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.305 -0.585 0.478 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.352 0.342 0.348 0.00 0.00 -0.013 A ATOM 5 C LIG 1 2.069 1.583 -0.241 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.780 1.899 -0.685 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.136 3.731 -1.875 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -2.715 3.942 -1.604 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -1.865 3.207 -2.562 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -1.787 1.675 -2.365 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -1.589 1.249 -0.963 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.364 2.018 0.039 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -2.355 3.539 -0.228 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 3.712 0.020 0.813 0.00 0.00 +0.021 A ATOM 15 C LIG 1 3.967 -0.376 2.131 0.00 0.00 +0.131 A ATOM 16 F LIG 1 2.968 -0.455 3.023 0.00 0.00 -0.205 F ATOM 17 C LIG 1 5.256 -0.681 2.563 0.00 0.00 +0.042 A ATOM 18 C LIG 1 6.331 -0.597 1.676 0.00 0.00 +0.049 A ATOM 19 C LIG 1 6.114 -0.206 0.355 0.00 0.00 +0.131 A ATOM 20 C LIG 1 4.809 0.099 -0.064 0.00 0.00 +0.057 A BRANCH 19 21 ATOM 21 O LIG 1 7.061 -0.080 -0.620 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 8.405 -0.374 -0.282 0.00 0.00 +0.575 C ATOM 23 F LIG 1 8.853 0.450 0.690 0.00 0.00 -0.133 F ATOM 24 F LIG 1 9.178 -0.191 -1.375 0.00 0.00 -0.133 F ATOM 25 F LIG 1 8.538 -1.657 0.117 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 4 14 BRANCH 2 26 ATOM 26 N LIG 1 -1.076 -1.171 0.104 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.922 -0.756 -0.283 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.089 -2.465 0.555 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.150 -3.128 0.975 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.436 -3.094 0.432 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -3.587 -2.722 1.247 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.757 -3.366 1.063 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -4.880 -4.439 0.045 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -5.943 -5.016 -0.140 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.737 -4.728 -0.656 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.814 -5.475 -1.339 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.540 -4.083 -0.470 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -3.425 -1.659 2.288 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.364 -1.874 3.100 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.266 -0.435 1.723 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -4.515 -1.561 3.095 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 7