REMARK Name = BDB026163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.010 -1.105 -0.065 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.060 -0.059 -0.092 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.256 -0.282 0.328 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.667 -1.545 0.792 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.706 -2.570 0.807 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.025 -3.810 1.211 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.610 -2.361 0.392 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.465 -1.817 1.498 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.466 -1.906 0.336 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.154 -1.705 -0.969 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.977 -2.859 -1.338 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.203 -1.370 -2.064 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.468 0.080 -2.491 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.706 -1.584 -1.714 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.327 -0.830 -0.502 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.333 -0.867 0.589 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.062 -1.761 1.216 0.00 0.00 -0.023 C ATOM 18 C LIG 1 4.187 -0.839 0.815 0.00 0.00 +0.143 C ATOM 19 N LIG 1 5.350 -1.545 1.323 0.00 0.00 -0.292 N ATOM 20 C LIG 1 5.009 -2.628 2.219 0.00 0.00 +0.136 C ATOM 21 C LIG 1 3.533 -2.741 2.005 0.00 0.00 -0.002 C BRANCH 19 22 ATOM 22 C LIG 1 6.548 -0.902 1.442 0.00 0.00 +0.218 A ATOM 23 N LIG 1 7.520 -1.472 2.178 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 8.705 -0.828 2.262 0.00 0.00 +0.134 A ATOM 25 C LIG 1 8.965 0.366 1.640 0.00 0.00 +0.088 A ATOM 26 C LIG 1 7.922 0.877 0.910 0.00 0.00 +0.134 A ATOM 27 N LIG 1 6.722 0.266 0.798 0.00 0.00 -0.221 NA BRANCH 25 28 ATOM 28 C LIG 1 10.220 1.024 1.743 0.00 0.00 +0.102 C ATOM 29 N LIG 1 11.245 1.560 1.829 0.00 0.00 -0.191 NA ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.547 1.180 -0.557 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.539 1.129 -0.786 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.139 2.353 -0.736 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.334 2.555 -0.565 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.733 3.446 -1.252 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -1.796 4.074 -0.476 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -2.527 5.058 -1.039 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -2.257 5.501 -2.430 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -2.925 6.382 -2.954 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.224 4.863 -3.068 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -1.026 5.178 -4.012 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -0.472 3.865 -2.501 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.019 3.635 0.938 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.540 2.384 0.993 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.878 3.631 1.669 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.895 4.440 1.595 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7