REMARK Name = BDB025954 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.143 -0.115 -0.690 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.607 -1.130 -1.489 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.398 -1.839 -2.310 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.754 -1.432 -1.476 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.631 -0.715 -0.657 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.100 0.325 0.149 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.269 0.612 0.134 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.011 -1.004 -0.575 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.339 -1.998 0.475 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.130 -3.235 -0.032 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.215 -4.252 -0.727 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.282 -2.952 -0.928 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.548 -3.087 -0.201 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.188 -1.625 -1.595 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.937 -1.667 -2.931 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.725 -1.173 -1.854 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.341 0.783 -0.500 0.00 0.00 -0.296 N ATOM 18 C LIG 1 4.982 -0.578 -0.895 0.00 0.00 +0.113 C ATOM 19 C LIG 1 3.564 -0.914 -0.411 0.00 0.00 +0.054 C ATOM 20 C LIG 1 2.585 0.195 -0.694 0.00 0.00 -0.038 C ATOM 21 C LIG 1 3.023 1.440 -0.958 0.00 0.00 -0.004 C ATOM 22 C LIG 1 4.471 1.856 -0.974 0.00 0.00 +0.135 C BRANCH 17 26 ATOM 23 C LIG 1 9.382 1.704 -0.748 0.00 0.00 +0.156 A ATOM 24 C LIG 1 8.392 2.656 -0.716 0.00 0.00 +0.161 A ATOM 25 N LIG 1 7.070 2.382 -0.647 0.00 0.00 -0.219 NA ATOM 26 C LIG 1 6.698 1.091 -0.606 0.00 0.00 +0.218 A ATOM 27 N LIG 1 7.598 0.092 -0.635 0.00 0.00 -0.219 NA ATOM 28 C LIG 1 8.909 0.416 -0.704 0.00 0.00 +0.161 A BRANCH 23 30 ATOM 29 C LIG 1 11.669 1.117 -0.825 0.00 0.00 +0.277 C ATOM 30 O LIG 1 10.669 2.130 -0.818 0.00 0.00 -0.492 OA ENDBRANCH 23 30 ENDBRANCH 17 26 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.042 1.036 0.924 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.989 0.694 0.778 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.828 2.111 1.748 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.777 2.690 1.981 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.090 2.595 2.372 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.726 1.940 3.508 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.870 2.453 4.005 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.479 3.667 3.406 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.525 4.130 3.838 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.795 4.217 2.350 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.200 5.058 1.952 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.627 3.705 1.842 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.070 0.732 4.102 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.082 -0.315 3.237 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.782 0.953 4.453 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.709 0.300 5.222 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 7