REMARK Name = BDB049686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.130 0.390 -1.134 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.896 -0.304 0.060 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -0.434 -0.392 0.500 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -1.497 0.192 -0.184 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.657 -0.124 0.589 0.00 0.00 +0.155 A ATOM 6 N LIG 1 -2.335 -0.835 1.667 0.00 0.00 -0.155 NA ATOM 7 C LIG 1 -1.233 0.905 -1.372 0.00 0.00 +0.017 A ATOM 8 N LIG 1 -1.006 -0.992 1.592 0.00 0.00 -0.265 N ATOM 9 C LIG 1 -0.324 -1.734 2.626 0.00 0.00 +0.173 C ATOM 10 C LIG 1 0.087 1.000 -1.830 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -3.938 0.280 0.257 0.00 0.00 -0.264 N ATOM 12 H LIG 1 -4.015 0.819 -0.590 0.00 0.00 +0.157 HD ATOM 13 C LIG 1 -5.084 -0.073 0.938 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -5.198 -0.845 1.881 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 -6.330 0.544 0.400 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -7.508 -0.217 0.403 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -8.706 0.319 -0.094 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -8.711 1.639 -0.571 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -7.544 2.406 -0.558 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.354 1.863 -0.071 0.00 0.00 +0.013 A BRANCH 17 21 ATOM 21 C LIG 1 -9.975 -0.498 -0.073 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -9.757 -1.827 -0.273 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -10.639 -0.397 1.110 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -10.865 -0.121 -1.034 0.00 0.00 -0.166 F ENDBRANCH 17 21 ENDBRANCH 13 15 ENDBRANCH 5 11 BRANCH 1 25 ATOM 25 O LIG 1 2.395 0.569 -1.657 0.00 0.00 -0.455 OA BRANCH 25 34 ATOM 26 C LIG 1 6.946 -0.244 0.412 0.00 0.00 +0.164 A ATOM 27 C LIG 1 6.102 0.879 0.409 0.00 0.00 +0.162 A ATOM 28 C LIG 1 4.877 0.807 -0.257 0.00 0.00 +0.063 A ATOM 29 C LIG 1 4.481 -0.375 -0.922 0.00 0.00 +0.046 A ATOM 30 C LIG 1 5.330 -1.496 -0.918 0.00 0.00 +0.078 A ATOM 31 N LIG 1 5.011 -2.649 -1.533 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 3.834 -2.725 -2.191 0.00 0.00 +0.115 A ATOM 33 C LIG 1 2.928 -1.691 -2.260 0.00 0.00 +0.066 A ATOM 34 C LIG 1 3.253 -0.511 -1.598 0.00 0.00 +0.139 A ATOM 35 C LIG 1 6.544 -1.410 -0.251 0.00 0.00 +0.077 A BRANCH 26 37 ATOM 36 C LIG 1 9.023 -1.212 1.092 0.00 0.00 +0.277 C ATOM 37 O LIG 1 8.133 -0.105 1.088 0.00 0.00 -0.491 OA ENDBRANCH 26 37 BRANCH 27 38 ATOM 38 O LIG 1 6.559 1.984 1.081 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 5.743 3.147 1.077 0.00 0.00 +0.277 C ENDBRANCH 27 38 ENDBRANCH 25 34 ENDBRANCH 1 25 TORSDOF 7