REMARK Name = BDB026041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.518 -1.173 0.723 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.834 0.032 0.423 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.434 0.087 0.445 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.334 -1.041 0.784 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.364 -2.218 1.089 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.306 -3.331 1.429 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.758 -2.291 1.060 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.350 -3.382 -2.167 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.763 -3.108 -0.775 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.676 -3.545 0.316 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.974 -4.978 0.267 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.077 -3.212 1.628 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.686 -1.727 1.786 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.923 -1.181 0.647 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.455 -1.585 -0.676 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.803 -0.979 0.816 0.00 0.00 +0.021 A ATOM 17 C LIG 1 2.513 0.094 1.316 0.00 0.00 +0.124 A ATOM 18 N LIG 1 3.862 0.179 1.356 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 4.571 -0.853 0.872 0.00 0.00 +0.218 A ATOM 20 N LIG 1 3.979 -1.945 0.365 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 2.627 -1.984 0.350 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 5.947 -0.797 0.922 0.00 0.00 -0.297 N ATOM 23 C LIG 1 6.562 0.474 1.301 0.00 0.00 +0.123 C ATOM 24 C LIG 1 8.095 0.325 1.410 0.00 0.00 +0.103 C ATOM 25 N LIG 1 8.758 -0.199 0.198 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 7.831 -0.927 -0.684 0.00 0.00 +0.103 C ATOM 27 C LIG 1 6.729 -1.700 0.075 0.00 0.00 +0.123 C BRANCH 25 28 ATOM 28 C LIG 1 9.690 0.753 -0.423 0.00 0.00 +0.057 C ATOM 29 C LIG 1 9.191 1.926 -1.223 0.00 0.00 +0.020 C ATOM 30 C LIG 1 9.952 0.822 -1.901 0.00 0.00 +0.020 C ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -2.656 1.143 0.133 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.646 0.905 0.186 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.280 2.440 -0.107 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.147 2.901 -0.120 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.447 3.342 -0.314 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.277 3.329 -1.508 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.301 4.199 -1.597 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.599 5.162 -0.504 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -6.555 5.921 -0.627 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.743 5.117 0.593 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -4.947 6.045 1.695 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.687 4.223 0.669 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -3.948 2.374 -2.611 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -4.685 2.603 -3.729 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.205 1.092 -2.247 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.649 2.435 -2.987 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7