REMARK Name = BDB037349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.484 -0.627 0.726 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.851 -0.572 0.374 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.756 0.570 0.070 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -4.067 0.032 -0.549 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -4.582 -1.249 0.158 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -3.642 -2.261 0.435 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -5.789 -1.380 0.398 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -2.293 -1.879 0.434 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.145 -2.656 0.554 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -0.101 -1.891 0.983 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -2.915 1.366 1.362 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -3.387 0.808 2.564 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -3.541 1.596 3.708 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.226 2.947 3.658 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -3.379 3.700 4.755 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.763 3.528 2.486 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -2.612 2.742 1.342 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -0.897 -3.996 0.148 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.215 -4.678 0.665 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.494 -5.978 0.244 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -0.319 -6.597 -0.705 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.408 -5.913 -1.243 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.696 -4.613 -0.825 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -5.158 1.010 -0.585 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -6.050 0.692 -0.215 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -5.095 2.137 -1.365 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.118 2.422 -2.047 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -6.300 3.007 -1.364 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.565 3.781 -2.501 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -7.695 4.615 -2.551 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -8.539 4.682 -1.431 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -8.265 3.927 -0.289 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.148 3.091 -0.253 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -7.973 5.450 -3.776 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -9.295 5.748 -3.930 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.322 6.646 -3.748 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.595 4.840 -4.933 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -4.144 -3.461 1.114 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -4.310 -3.246 2.614 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 0.484 0.507 0.894 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 2.236 0.457 -0.822 0.00 0.00 +0.241 C ATOM 42 N LIG 1 1.779 0.071 0.410 0.00 0.00 -0.306 N ATOM 43 H LIG 1 2.053 -0.844 0.748 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 1.723 1.334 -1.504 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 3.370 -0.770 -2.556 0.00 0.00 +0.019 C ATOM 46 C LIG 1 3.424 -0.315 -1.292 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 4.577 -0.450 -0.329 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 5.865 -0.857 -0.919 0.00 0.00 -0.296 NA ATOM 49 C LIG 1 6.783 -1.353 0.130 0.00 0.00 +0.100 C ATOM 50 C LIG 1 8.266 -1.293 -0.293 0.00 0.00 +0.100 C ATOM 51 N LIG 1 8.759 0.075 -0.573 0.00 0.00 -0.293 NA ATOM 52 C LIG 1 7.642 0.962 -0.983 0.00 0.00 +0.100 C ATOM 53 C LIG 1 6.497 0.221 -1.712 0.00 0.00 +0.100 C BRANCH 51 54 ATOM 54 C LIG 1 9.416 0.640 0.626 0.00 0.00 +0.108 C ATOM 55 C LIG 1 10.221 1.906 0.272 0.00 0.00 +0.181 C ATOM 56 O LIG 1 11.407 1.357 0.915 0.00 0.00 -0.377 OA ATOM 57 C LIG 1 10.817 0.029 0.829 0.00 0.00 +0.181 C ENDBRANCH 51 54 ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 12