REMARK Name = BDB037386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.153 2.398 -0.867 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.920 1.493 -0.837 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.789 0.118 -0.848 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.090 -0.401 -1.099 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.966 0.612 -1.230 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.525 -0.564 -0.707 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.623 0.350 -1.280 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.296 1.712 -0.795 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.451 1.859 -0.962 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.463 2.570 -0.894 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.459 -1.819 -1.283 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.751 -2.226 -0.985 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.130 -3.628 -1.136 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -5.660 -3.590 -1.067 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -5.938 -2.424 -0.123 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -4.858 -1.416 -0.496 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -1.630 -2.641 -1.673 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -3.570 -4.475 -0.057 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -3.160 -5.137 0.806 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.611 -0.934 0.772 0.00 0.00 -0.037 A ATOM 21 C LIG 1 0.321 -2.261 1.151 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.365 -2.655 2.489 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.706 -1.728 3.462 0.00 0.00 +0.123 A ATOM 24 F LIG 1 0.750 -2.101 4.748 0.00 0.00 -0.205 F ATOM 25 C LIG 1 1.002 -0.415 3.122 0.00 0.00 +0.038 A ATOM 26 C LIG 1 0.954 -0.017 1.783 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.055 2.781 -0.256 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -2.587 3.499 0.849 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -3.361 4.527 1.392 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.610 4.824 0.848 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.098 4.082 -0.227 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -4.330 3.051 -0.772 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 2.988 -0.043 -0.915 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.600 0.718 -0.636 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.546 -1.211 -1.380 0.00 0.00 +0.245 C ATOM 36 O LIG 1 2.933 -2.010 -2.078 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.971 -1.453 -1.023 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.552 -0.903 0.128 0.00 0.00 +0.025 A ATOM 39 C LIG 1 6.897 -1.164 0.442 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.652 -1.976 -0.418 0.00 0.00 +0.012 A ATOM 41 C LIG 1 7.072 -2.538 -1.556 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.733 -2.282 -1.854 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.532 -0.555 1.669 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.466 -1.362 2.244 0.00 0.00 -0.166 F ATOM 45 F LIG 1 6.633 -0.267 2.651 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.168 0.616 1.391 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 0.577 4.670 0.121 0.00 0.00 +0.025 C ATOM 48 C LIG 1 0.038 3.849 -1.045 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8