REMARK Name = BDB037484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.211 2.430 0.253 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.124 1.435 -0.126 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.827 0.088 -0.213 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.075 -0.581 -0.384 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.070 0.321 -0.325 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.570 -0.423 -0.100 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.552 0.736 -0.392 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.472 1.534 -0.440 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.143 2.048 0.327 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.002 2.749 0.876 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.727 -1.055 1.283 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.399 -0.405 2.486 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.607 -1.030 3.718 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.149 -2.307 3.760 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.348 -2.902 4.944 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.490 -2.973 2.592 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.282 -2.348 1.361 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.216 2.613 -0.993 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.617 2.598 -0.909 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.365 3.629 -1.478 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.724 4.668 -2.151 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.335 4.672 -2.267 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.579 3.644 -1.698 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.947 0.434 -0.062 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.410 1.092 0.557 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.672 -0.490 -0.772 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.204 -1.124 -1.710 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.090 -0.681 -0.364 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.002 -1.146 -1.321 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.350 -1.355 -0.986 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.771 -1.084 0.325 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.862 -0.637 1.286 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.522 -0.440 0.946 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.330 -1.827 -2.032 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.433 -2.427 -1.501 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.795 -2.732 -2.896 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.796 -0.803 -2.799 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.292 -2.043 -0.519 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -3.574 -2.570 -0.751 0.00 0.00 -0.281 N ATOM 40 O LIG 1 -1.336 -2.815 -0.425 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.761 -1.810 -1.159 0.00 0.00 +0.137 C BRANCH 41 42 ATOM 42 C LIG 1 -5.676 -1.444 0.014 0.00 0.00 +0.175 C BRANCH 42 43 ATOM 43 O LIG 1 -6.814 -0.713 -0.435 0.00 0.00 -0.393 OA ATOM 44 H LIG 1 -7.318 -1.282 -1.041 0.00 0.00 +0.209 HD ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 BRANCH 39 45 ATOM 45 C LIG 1 -3.692 -4.030 -0.758 0.00 0.00 +0.227 C BRANCH 45 46 ATOM 46 C LIG 1 -3.535 -4.605 -2.107 0.00 0.00 +0.082 C ATOM 47 N LIG 1 -3.458 -5.056 -3.175 0.00 0.00 -0.195 NA ENDBRANCH 45 46 ENDBRANCH 39 45 ENDBRANCH 4 38 BRANCH 1 49 ATOM 48 C LIG 1 -0.745 3.471 2.446 0.00 0.00 +0.025 C ATOM 49 C LIG 1 -0.589 3.669 0.944 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 12