REMARK Name = BDB025748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.997 -1.514 0.148 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.909 -2.397 0.197 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.111 -3.704 0.426 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.406 -1.969 0.009 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.684 -0.626 -0.243 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.404 0.281 -0.310 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.717 -0.161 -0.106 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.990 -0.121 -0.413 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.865 -0.807 -1.391 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.853 -1.833 -0.761 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.776 -2.406 -1.844 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.590 -1.330 0.432 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.608 -0.331 0.100 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.584 -0.841 1.417 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.213 -0.388 2.740 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.646 0.264 0.861 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 5.043 -3.209 1.576 0.00 0.00 +0.215 A ATOM 18 N LIG 1 6.040 -2.841 0.749 0.00 0.00 -0.209 NA ATOM 19 C LIG 1 5.722 -2.033 -0.299 0.00 0.00 +0.148 A ATOM 20 C LIG 1 4.415 -1.584 -0.513 0.00 0.00 +0.041 A ATOM 21 C LIG 1 3.384 -1.974 0.353 0.00 0.00 -0.008 A ATOM 22 C LIG 1 3.726 -2.810 1.421 0.00 0.00 +0.075 A BRANCH 19 23 ATOM 23 C LIG 1 6.818 -1.579 -1.252 0.00 0.00 +0.434 C ATOM 24 F LIG 1 7.969 -2.306 -1.168 0.00 0.00 -0.164 F ATOM 25 F LIG 1 6.436 -1.650 -2.562 0.00 0.00 -0.164 F ATOM 26 F LIG 1 7.182 -0.280 -1.050 0.00 0.00 -0.164 F ENDBRANCH 19 23 BRANCH 17 28 ATOM 27 C LIG 1 6.679 -4.407 2.747 0.00 0.00 +0.279 C ATOM 28 O LIG 1 5.309 -4.028 2.655 0.00 0.00 -0.480 OA ENDBRANCH 17 28 ENDBRANCH 1 21 BRANCH 6 29 ATOM 29 N LIG 1 0.066 1.619 -0.611 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.938 1.738 -0.736 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.910 2.680 -0.825 0.00 0.00 +0.250 C ATOM 32 O LIG 1 2.134 2.680 -0.807 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 0.176 3.930 -1.170 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -0.624 4.693 -0.218 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -1.236 5.821 -0.631 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -1.104 6.286 -2.034 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -1.672 7.298 -2.421 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -0.317 5.510 -2.847 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -0.209 5.837 -3.801 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 0.318 4.364 -2.433 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -0.713 4.216 1.197 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.445 3.076 1.287 0.00 0.00 -0.166 F ATOM 43 F LIG 1 0.499 3.963 1.744 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.323 5.120 2.008 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 7