REMARK Name = BDB004924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.286 -2.041 0.183 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.267 -1.295 1.052 0.00 0.00 -0.025 A ATOM 3 C LIG 1 0.926 -0.764 0.523 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.866 -0.124 1.338 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.607 -0.002 2.708 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.438 -0.531 3.257 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.484 -1.179 2.437 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.079 0.418 0.859 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.659 0.868 1.555 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.615 0.277 -0.407 0.00 0.00 +0.248 C ATOM 11 O LIG 1 3.157 -0.370 -1.341 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 4.928 0.949 -0.601 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.179 2.230 -0.100 0.00 0.00 +0.016 A ATOM 14 C LIG 1 6.434 2.817 -0.301 0.00 0.00 +0.047 A ATOM 15 C LIG 1 7.441 2.138 -0.999 0.00 0.00 +0.130 A ATOM 16 C LIG 1 7.176 0.867 -1.515 0.00 0.00 +0.047 A ATOM 17 C LIG 1 5.921 0.277 -1.321 0.00 0.00 +0.016 A BRANCH 15 18 ATOM 18 O LIG 1 8.615 2.829 -1.105 0.00 0.00 -0.406 OA BRANCH 18 19 ATOM 19 C LIG 1 9.703 2.186 -1.751 0.00 0.00 +0.575 C ATOM 20 F LIG 1 9.420 1.935 -3.047 0.00 0.00 -0.133 F ATOM 21 F LIG 1 10.027 1.032 -1.129 0.00 0.00 -0.133 F ATOM 22 F LIG 1 10.779 3.004 -1.706 0.00 0.00 -0.133 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 N LIG 1 -2.674 -1.753 0.591 0.00 0.00 -0.322 N ATOM 24 H LIG 1 -3.296 -2.463 0.209 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.230 -0.479 0.398 0.00 0.00 +0.130 A ATOM 26 C LIG 1 -4.539 -0.223 0.862 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -5.044 1.075 0.652 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -6.353 1.344 1.104 0.00 0.00 +0.063 A ATOM 29 C LIG 1 -7.125 0.359 1.752 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -6.614 -0.909 1.966 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -4.285 2.015 0.048 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -3.050 1.667 -0.333 0.00 0.00 +0.223 A ATOM 33 C LIG 1 -5.330 -1.196 1.526 0.00 0.00 +0.013 A ATOM 34 N LIG 1 -2.492 0.468 -0.194 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 -7.018 2.678 0.951 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -8.105 2.917 1.467 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -6.387 3.641 0.218 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -5.428 3.500 -0.088 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -6.782 4.574 0.218 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 1 40 ATOM 40 C LIG 1 -1.079 -1.976 -1.349 0.00 0.00 +0.055 C BRANCH 40 41 ATOM 41 C LIG 1 -2.158 -2.685 -2.166 0.00 0.00 +0.161 C BRANCH 41 43 ATOM 42 C LIG 1 -1.549 -4.981 -2.116 0.00 0.00 +0.193 C ATOM 43 O LIG 1 -2.454 -3.985 -1.656 0.00 0.00 -0.383 OA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 11