REMARK Name = BDB026245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.115 0.012 0.125 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.833 -1.201 0.763 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.829 -2.022 1.129 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.476 -1.603 1.018 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.549 -0.791 0.639 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.272 0.441 -0.006 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.046 0.832 -0.261 0.00 0.00 +0.036 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 6.618 -0.003 -1.798 0.00 0.00 +0.403 C ATOM 9 N LIG 1 5.407 0.610 -1.503 0.00 0.00 -0.267 N ATOM 10 C LIG 1 4.204 -0.043 -2.011 0.00 0.00 +0.116 C ATOM 11 C LIG 1 2.858 0.581 -1.625 0.00 0.00 +0.054 C ATOM 12 C LIG 1 2.504 0.435 -0.160 0.00 0.00 -0.040 C ATOM 13 C LIG 1 3.336 0.653 0.877 0.00 0.00 -0.021 C ATOM 14 C LIG 1 4.764 1.134 0.841 0.00 0.00 +0.046 C ATOM 15 C LIG 1 5.280 1.663 -0.498 0.00 0.00 +0.115 C ATOM 16 O LIG 1 6.727 -0.962 -2.554 0.00 0.00 -0.226 OA BRANCH 8 17 ATOM 17 O LIG 1 7.669 0.570 -1.151 0.00 0.00 -0.448 OA BRANCH 17 19 ATOM 18 C LIG 1 9.139 -1.188 -0.383 0.00 0.00 +0.052 C ATOM 19 C LIG 1 8.958 -0.034 -1.362 0.00 0.00 +0.172 C ATOM 20 C LIG 1 10.006 1.046 -1.122 0.00 0.00 +0.052 C ENDBRANCH 17 19 ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 5 21 ATOM 21 N LIG 1 -2.898 -1.165 0.837 0.00 0.00 -0.325 N ATOM 22 C LIG 1 -3.246 -1.609 2.200 0.00 0.00 +0.123 C ATOM 23 C LIG 1 -4.721 -2.089 2.244 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -5.082 -2.451 3.689 0.00 0.00 +0.026 C ATOM 25 N LIG 1 -4.997 -3.255 1.363 0.00 0.00 -0.297 NA ATOM 26 C LIG 1 -6.401 -3.267 0.938 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -4.091 -3.330 0.189 0.00 0.00 +0.071 C ATOM 28 C LIG 1 -3.037 -4.414 0.455 0.00 0.00 +0.026 C ATOM 29 C LIG 1 -3.441 -1.994 -0.265 0.00 0.00 +0.123 C ENDBRANCH 5 21 BRANCH 6 30 ATOM 30 N LIG 1 -2.400 1.222 -0.337 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.266 0.795 -0.017 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.435 2.447 -0.953 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.498 3.116 -1.362 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.825 2.961 -1.097 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.370 3.997 -0.228 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.636 4.420 -0.424 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.462 3.848 -1.516 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.610 4.226 -1.708 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.859 2.876 -2.277 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -6.420 2.499 -3.033 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.570 2.442 -2.085 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.505 4.538 0.869 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.191 5.382 1.686 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.025 3.551 1.665 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.446 5.239 0.399 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7