REMARK Name = BDB037376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.750 -1.754 1.471 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.670 -1.184 0.572 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.325 -0.407 -0.522 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.450 -0.523 -1.372 0.00 0.00 +0.093 A ATOM 5 N LIG 1 -3.464 -1.174 -0.790 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.055 0.132 -0.698 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.850 -0.012 0.620 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.048 -1.362 0.489 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.597 -1.390 1.272 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.545 -2.089 1.647 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.072 1.592 -1.111 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.613 2.044 -2.254 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.553 3.385 -2.640 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.177 4.286 -1.878 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.234 5.572 -2.251 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.846 3.874 -0.734 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.792 2.534 -0.347 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.006 -1.596 1.512 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.719 -1.287 2.847 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.680 -1.506 3.838 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.932 -2.015 3.498 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.234 -2.295 2.166 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.279 -2.078 1.172 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.299 0.133 0.419 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.827 -0.734 0.451 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.951 1.300 0.749 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.373 2.305 1.147 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.437 1.282 0.641 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.111 0.411 -0.227 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.515 0.433 -0.312 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.232 1.332 0.492 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.563 2.210 1.346 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.170 2.189 1.415 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.242 -0.519 -1.231 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.418 -0.018 -1.700 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.552 -1.692 -0.615 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.514 -0.856 -2.332 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.524 -0.131 -2.912 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -2.674 1.323 -3.297 0.00 0.00 +0.035 C ATOM 40 C LIG 1 -3.868 0.435 -3.367 0.00 0.00 +0.035 C BRANCH 38 41 ATOM 41 N LIG 1 -1.918 -1.133 -3.813 0.00 0.00 -0.271 N ATOM 42 H LIG 1 -2.573 -1.735 -4.315 0.00 0.00 +0.159 HD BRANCH 41 43 ATOM 43 C LIG 1 -0.683 -0.862 -4.222 0.00 0.00 +0.167 C ATOM 44 N LIG 1 0.397 -0.644 -4.579 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 4 38 BRANCH 1 46 ATOM 45 C LIG 1 -0.659 -2.980 3.648 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -0.989 -3.030 2.161 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9