REMARK Name = BDB035445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.126 1.236 -1.409 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.614 0.409 -0.393 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.055 -0.099 0.564 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.038 0.184 -0.670 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.953 -0.563 0.050 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.267 -0.632 -0.431 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.610 0.047 -1.626 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.666 0.801 -2.349 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.371 0.853 -1.843 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.162 1.544 -2.386 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.503 1.962 -0.635 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.161 1.525 -0.532 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.203 1.725 -1.539 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.600 2.424 -2.684 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.913 2.873 -2.827 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.846 2.635 -1.821 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -4.587 1.698 0.517 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.417 2.969 0.979 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -5.249 2.492 2.401 0.00 0.00 -0.016 C ATOM 20 C LIG 1 -5.068 3.517 3.490 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -6.542 3.235 3.898 0.00 0.00 +0.250 C ATOM 22 F LIG 1 -7.446 4.125 3.427 0.00 0.00 -0.206 F ATOM 23 F LIG 1 -6.763 3.117 5.226 0.00 0.00 -0.206 F ATOM 24 C LIG 1 -6.447 1.900 3.108 0.00 0.00 +0.082 C ATOM 25 C LIG 1 -4.100 1.598 2.017 0.00 0.00 +0.026 C BRANCH 17 28 ATOM 26 C LIG 1 -3.860 -1.427 0.015 0.00 0.00 +0.151 C ATOM 27 N LIG 1 -5.163 -0.828 -0.089 0.00 0.00 -0.320 N ATOM 28 C LIG 1 -5.521 0.478 0.109 0.00 0.00 +0.144 A ATOM 29 N LIG 1 -6.816 0.598 -0.104 0.00 0.00 -0.134 NA ATOM 30 N LIG 1 -7.313 -0.640 -0.432 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 -6.309 -1.484 -0.422 0.00 0.00 +0.224 A ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 4.029 1.512 -3.625 0.00 0.00 +0.418 C ATOM 33 F LIG 1 3.313 1.052 -4.689 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.772 2.848 -3.559 0.00 0.00 -0.166 F ATOM 35 F LIG 1 5.338 1.396 -3.971 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.310 -1.461 0.290 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 5.542 -2.709 -0.438 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 4.640 -3.162 -0.587 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 6.539 -3.568 0.222 0.00 0.00 +0.017 C ATOM 40 C LIG 1 5.918 -4.252 1.472 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.465 -5.592 0.936 0.00 0.00 +0.004 C ATOM 42 C LIG 1 6.466 -4.962 -0.472 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.934 -2.976 0.318 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 7