REMARK Name = BDB037397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.959 0.420 0.931 0.00 0.00 +0.074 A ATOM 2 C LIG 1 -1.298 -0.806 0.655 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.361 -1.741 1.343 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.910 -1.874 0.489 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.530 -2.254 -0.980 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.684 -1.766 -1.532 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.343 -2.868 -1.681 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.515 -0.997 -0.698 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.640 -0.235 -0.990 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.743 0.784 -0.097 0.00 0.00 -0.169 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.300 -1.462 2.830 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.853 -0.989 3.479 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.862 -0.771 4.860 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.277 -1.037 5.608 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.264 -0.825 6.931 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.425 -1.524 5.004 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.435 -1.741 3.625 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.682 -0.431 -1.934 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.467 0.659 -2.335 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.509 0.473 -3.245 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.786 -0.801 -3.738 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.034 -1.894 -3.310 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.990 -1.713 -2.401 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 1.782 -0.690 0.454 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.361 0.230 0.308 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.144 -0.843 0.298 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.720 -1.925 0.325 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.937 0.388 0.072 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.977 0.347 -0.865 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.766 1.484 -1.105 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.509 2.653 -0.370 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.484 2.687 0.578 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.702 1.554 0.803 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.895 1.435 -2.104 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.645 0.607 -3.156 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.172 2.652 -2.651 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.060 1.002 -1.550 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -0.773 -1.810 -2.996 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -1.021 -3.207 -3.553 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -1.827 1.358 2.098 0.00 0.00 +0.097 C BRANCH 40 42 ATOM 41 C LIG 1 -2.039 3.865 2.121 0.00 0.00 +0.018 C ATOM 42 C LIG 1 -1.421 2.755 1.681 0.00 0.00 +0.013 C BRANCH 42 43 ATOM 43 C LIG 1 -0.245 2.829 0.766 0.00 0.00 +0.237 C ATOM 44 O LIG 1 0.633 1.974 0.758 0.00 0.00 -0.271 OA ATOM 45 N LIG 1 -0.239 3.859 -0.121 0.00 0.00 -0.326 N ATOM 46 H LIG 1 0.464 3.827 -0.846 0.00 0.00 +0.145 HD ATOM 47 H LIG 1 -1.086 4.375 -0.315 0.00 0.00 +0.145 HD ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 9