REMARK Name = BDB061339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.579 1.057 0.205 0.00 0.00 +0.087 A ATOM 2 C LIG 1 2.879 0.904 -0.997 0.00 0.00 +0.045 A ATOM 3 C LIG 1 1.544 1.336 -1.124 0.00 0.00 +0.098 A ATOM 4 C LIG 1 0.908 1.936 -0.025 0.00 0.00 +0.132 A ATOM 5 C LIG 1 1.612 2.105 1.171 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.937 1.671 1.280 0.00 0.00 +0.033 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.813 1.151 -2.429 0.00 0.00 +0.421 C ATOM 8 F LIG 1 -0.277 0.340 -2.325 0.00 0.00 -0.166 F ATOM 9 F LIG 1 1.589 0.585 -3.401 0.00 0.00 -0.166 F ATOM 10 F LIG 1 0.367 2.321 -2.967 0.00 0.00 -0.166 F ENDBRANCH 3 7 BRANCH 1 12 ATOM 11 N LIG 1 5.023 -0.583 0.198 0.00 0.00 -0.149 NA ATOM 12 N LIG 1 4.920 0.656 0.338 0.00 0.00 -0.149 NA BRANCH 11 17 ATOM 13 C LIG 1 10.437 -2.347 0.805 0.00 0.00 +0.044 C ATOM 14 C LIG 1 9.017 -1.897 0.625 0.00 0.00 -0.050 A ATOM 15 C LIG 1 8.680 -1.004 -0.398 0.00 0.00 +0.005 A ATOM 16 C LIG 1 7.362 -0.562 -0.544 0.00 0.00 +0.030 A ATOM 17 C LIG 1 6.363 -0.988 0.340 0.00 0.00 +0.086 A ATOM 18 C LIG 1 6.704 -1.879 1.362 0.00 0.00 +0.030 A ATOM 19 C LIG 1 8.021 -2.324 1.512 0.00 0.00 +0.005 A ENDBRANCH 11 17 ENDBRANCH 1 12 BRANCH 4 20 ATOM 20 O LIG 1 -0.386 2.327 -0.229 0.00 0.00 -0.491 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.111 2.864 0.881 0.00 0.00 +0.233 C BRANCH 21 22 ATOM 22 C LIG 1 -2.549 3.154 0.442 0.00 0.00 +0.076 C BRANCH 22 23 ATOM 23 C LIG 1 -3.387 1.899 0.336 0.00 0.00 -0.044 A ATOM 24 C LIG 1 -3.310 1.089 -0.805 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -4.066 -0.082 -0.896 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -4.925 -0.432 0.140 0.00 0.00 +0.122 A ATOM 27 C LIG 1 -4.979 0.338 1.299 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -4.221 1.508 1.392 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 -5.617 -1.608 0.083 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.939 -1.546 -0.515 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -6.895 -1.208 -2.008 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -7.897 -0.630 0.253 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -7.486 -2.984 -0.393 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -8.599 -3.340 -0.756 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.604 -3.851 0.168 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -5.776 -3.369 0.388 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 11