REMARK Name = BDB037475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.104 -2.835 0.370 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.792 -1.758 0.294 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.850 -0.732 1.214 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.118 -0.125 1.006 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.721 -0.647 -0.079 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.204 -0.575 2.261 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.497 -1.301 1.812 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.814 -1.512 -0.611 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.151 -2.728 1.319 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.824 -3.701 1.666 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.771 0.889 1.855 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.424 1.941 1.223 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.980 3.036 1.972 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.643 3.985 1.016 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.501 3.413 -0.369 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.456 3.279 2.067 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.555 2.189 -0.233 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.706 0.809 3.081 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.252 2.469 -0.871 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -1.223 2.669 -1.374 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.401 0.906 2.556 0.00 0.00 -0.037 A ATOM 22 C LIG 1 0.606 1.873 1.554 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.777 3.220 1.879 0.00 0.00 +0.038 A ATOM 24 C LIG 1 0.757 3.612 3.210 0.00 0.00 +0.123 A ATOM 25 F LIG 1 0.914 4.905 3.521 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.573 2.681 4.222 0.00 0.00 +0.038 A ATOM 27 C LIG 1 0.400 1.333 3.897 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -1.935 -1.880 -1.980 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -0.810 -2.244 -2.733 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -0.949 -2.563 -4.086 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -2.201 -2.507 -4.695 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.319 -2.121 -3.958 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.189 -1.799 -2.606 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 2.221 -0.649 0.707 0.00 0.00 -0.299 N ATOM 35 H LIG 1 1.734 -0.569 -0.175 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.596 -0.577 0.698 0.00 0.00 +0.245 C ATOM 37 O LIG 1 4.303 -0.934 1.631 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 4.219 -0.060 -0.552 0.00 0.00 +0.037 A ATOM 39 C LIG 1 5.511 -0.493 -0.879 0.00 0.00 +0.025 A ATOM 40 C LIG 1 6.144 -0.041 -2.048 0.00 0.00 +0.056 A ATOM 41 C LIG 1 5.470 0.871 -2.875 0.00 0.00 +0.012 A ATOM 42 C LIG 1 4.189 1.316 -2.545 0.00 0.00 +0.001 A ATOM 43 C LIG 1 3.563 0.855 -1.385 0.00 0.00 +0.013 A BRANCH 40 44 ATOM 44 C LIG 1 7.543 -0.498 -2.385 0.00 0.00 +0.417 C ATOM 45 F LIG 1 8.497 0.273 -1.798 0.00 0.00 -0.166 F ATOM 46 F LIG 1 7.805 -0.464 -3.722 0.00 0.00 -0.166 F ATOM 47 F LIG 1 7.796 -1.778 -1.994 0.00 0.00 -0.166 F ENDBRANCH 40 44 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 49 ATOM 48 C LIG 1 -1.082 -4.947 0.913 0.00 0.00 +0.025 C ATOM 49 C LIG 1 -0.223 -4.190 -0.092 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 8