REMARK Name = BDB037429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.162 -2.490 -0.578 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.024 -1.637 0.124 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.715 -0.343 0.492 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.943 0.247 0.904 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.943 -0.646 0.780 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.658 0.220 0.366 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.671 -0.940 0.227 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.330 -1.839 0.552 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.171 -2.059 -0.725 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.953 -2.583 -1.528 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.135 1.629 1.399 0.00 0.00 +0.267 C ATOM 12 N LIG 1 -3.390 2.216 1.298 0.00 0.00 -0.295 N ATOM 13 C LIG 1 -4.570 1.696 0.617 0.00 0.00 +0.126 C ATOM 14 C LIG 1 -5.498 2.902 0.488 0.00 0.00 +0.110 C ATOM 15 C LIG 1 -5.131 3.736 1.715 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -3.624 3.554 1.804 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -1.196 2.252 1.895 0.00 0.00 -0.268 OA BRANCH 14 18 ATOM 18 C LIG 1 -6.907 2.513 0.463 0.00 0.00 +0.067 C ATOM 19 N LIG 1 -8.024 2.200 0.438 0.00 0.00 -0.196 NA ENDBRANCH 14 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.623 1.208 -0.797 0.00 0.00 -0.037 A ATOM 21 C LIG 1 0.294 0.848 -2.117 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.302 1.799 -3.141 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.643 3.115 -2.857 0.00 0.00 +0.123 A ATOM 24 F LIG 1 0.650 4.022 -3.841 0.00 0.00 -0.205 F ATOM 25 C LIG 1 0.977 3.499 -1.567 0.00 0.00 +0.038 A ATOM 26 C LIG 1 0.969 2.551 -0.543 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.004 -3.038 0.915 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -4.406 -3.047 0.980 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -5.082 -4.206 1.367 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.365 -5.351 1.710 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.972 -5.338 1.680 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.289 -4.183 1.292 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 3.004 -0.517 -0.208 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.387 -1.011 -1.008 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.818 0.241 0.597 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.482 0.624 1.711 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 5.169 0.563 0.063 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.200 0.828 0.975 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.491 1.147 0.524 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.735 1.191 -0.857 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.706 0.945 -1.768 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.424 0.637 -1.312 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 8.605 1.400 1.511 0.00 0.00 +0.417 C ATOM 44 F LIG 1 9.579 2.216 1.019 0.00 0.00 -0.166 F ATOM 45 F LIG 1 8.178 1.985 2.664 0.00 0.00 -0.166 F ATOM 46 F LIG 1 9.234 0.251 1.883 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.973 -2.993 -2.873 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.622 -3.541 -1.496 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8