REMARK Name = BDB037371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.782 2.323 0.628 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.522 1.180 0.275 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.368 -0.076 0.847 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.989 -0.963 -0.080 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -2.572 -0.266 -1.072 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 -0.568 -0.162 2.105 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.679 0.731 1.962 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.526 1.026 -0.670 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.239 2.176 1.602 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.873 3.146 2.026 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.408 -1.589 2.582 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.410 -2.142 3.411 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.292 -3.436 3.922 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.167 -4.189 3.620 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.053 -5.432 4.105 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.838 -3.671 2.817 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.717 -2.379 2.297 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.551 1.914 -1.091 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.212 1.675 -2.305 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.250 2.513 -2.713 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.649 3.577 -1.904 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.019 3.798 -0.680 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.978 2.964 -0.266 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.617 0.339 0.895 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.262 0.392 -0.053 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.979 0.470 1.082 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.491 0.664 2.178 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.835 0.382 -0.133 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.088 1.012 -0.108 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.937 0.969 -1.227 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.519 0.267 -2.367 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.278 -0.373 -2.392 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.440 -0.319 -1.277 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.290 1.636 -1.183 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.240 0.843 -0.618 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.291 2.795 -0.468 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.764 1.964 -2.418 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.354 3.513 -1.217 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.731 3.566 -0.147 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.016 -2.482 -0.143 0.00 0.00 +0.131 C ATOM 41 C LIG 1 -3.231 -3.032 -0.904 0.00 0.00 +0.035 C BRANCH 40 42 ATOM 42 N LIG 1 -0.746 -2.999 -0.775 0.00 0.00 -0.264 N ATOM 43 C LIG 1 -0.497 -4.431 -0.476 0.00 0.00 +0.142 C BRANCH 42 44 ATOM 44 C LIG 1 -0.167 -2.408 -1.833 0.00 0.00 +0.169 C ATOM 45 N LIG 1 0.381 -1.910 -2.723 0.00 0.00 -0.174 NA ENDBRANCH 42 44 ENDBRANCH 40 42 ENDBRANCH 4 40 TORSDOF 9