REMARK Name = BDB059706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.738 -0.483 0.990 0.00 0.00 +0.023 A ATOM 2 C LIG 1 2.731 0.915 1.116 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.587 1.585 1.562 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.435 0.864 1.872 0.00 0.00 +0.128 A ATOM 5 C LIG 1 0.432 -0.528 1.773 0.00 0.00 +0.047 A ATOM 6 C LIG 1 1.577 -1.197 1.327 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.900 -1.474 -0.166 0.00 0.00 +0.248 A ATOM 8 O LIG 1 5.328 -2.706 -0.081 0.00 0.00 -0.336 OA ATOM 9 N LIG 1 4.029 -2.506 0.377 0.00 0.00 -0.056 NA ATOM 10 C LIG 1 3.937 -1.173 0.523 0.00 0.00 +0.202 A ATOM 11 N LIG 1 5.094 -0.496 0.189 0.00 0.00 -0.190 NA BRANCH 7 13 ATOM 12 C LIG 1 8.275 -1.706 0.513 0.00 0.00 +0.038 C ATOM 13 C LIG 1 7.314 -1.414 -0.637 0.00 0.00 +0.159 C BRANCH 13 14 ATOM 14 N LIG 1 7.555 -0.088 -1.192 0.00 0.00 -0.297 N ATOM 15 H LIG 1 6.968 0.679 -0.868 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 8.598 0.176 -2.066 0.00 0.00 +0.318 C ATOM 17 O LIG 1 9.357 -0.718 -2.443 0.00 0.00 -0.266 OA BRANCH 16 18 ATOM 18 C LIG 1 8.714 1.650 -2.517 0.00 0.00 +0.469 C ATOM 19 F LIG 1 8.528 1.802 -3.856 0.00 0.00 -0.162 F ATOM 20 F LIG 1 9.925 2.194 -2.220 0.00 0.00 -0.162 F ATOM 21 F LIG 1 7.780 2.440 -1.908 0.00 0.00 -0.162 F ENDBRANCH 16 18 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 22 ATOM 22 O LIG 1 -0.643 1.582 2.338 0.00 0.00 -0.456 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.880 1.266 1.825 0.00 0.00 +0.129 A ATOM 24 C LIG 1 -2.927 1.124 2.732 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -4.211 0.836 2.266 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -4.461 0.706 0.896 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -3.411 0.873 -0.009 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -2.123 1.161 0.454 0.00 0.00 +0.050 A BRANCH 26 29 ATOM 29 O LIG 1 -5.761 0.422 0.581 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.079 0.279 -0.800 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 -7.551 -0.033 -0.912 0.00 0.00 -0.010 A ATOM 32 C LIG 1 -8.491 1.001 -1.030 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -9.854 0.711 -1.120 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -10.290 -0.612 -1.084 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.366 -1.647 -0.952 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.003 -1.359 -0.862 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9