REMARK Name = BDB035424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.155 -0.837 -1.595 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.364 -0.074 -0.543 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.191 0.600 0.306 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.823 -0.227 -0.582 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.773 0.343 0.246 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.119 0.038 0.006 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.458 -0.844 -1.051 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.478 -1.417 -1.883 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.151 -1.086 -1.624 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.903 -1.534 -2.315 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.900 -0.325 -1.616 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.522 -0.200 -1.326 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.526 -0.971 -1.947 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.929 -1.883 -2.928 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.278 -2.038 -3.246 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.244 -1.276 -2.593 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.019 0.548 -0.871 0.00 0.00 +0.057 C ATOM 18 C LIG 1 4.638 1.980 -0.319 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.941 2.474 -0.889 0.00 0.00 +0.020 C ATOM 20 C LIG 1 6.049 3.873 -1.399 0.00 0.00 +0.169 C ATOM 21 O LIG 1 6.980 4.202 -0.326 0.00 0.00 -0.379 OA ATOM 22 C LIG 1 7.073 2.791 0.043 0.00 0.00 +0.169 C ATOM 23 C LIG 1 6.043 1.304 -1.821 0.00 0.00 +0.030 C BRANCH 17 26 ATOM 24 C LIG 1 3.829 -0.898 1.777 0.00 0.00 +0.151 C ATOM 25 N LIG 1 5.199 -0.919 1.341 0.00 0.00 -0.320 N ATOM 26 C LIG 1 5.749 -0.333 0.233 0.00 0.00 +0.144 A ATOM 27 N LIG 1 7.039 -0.600 0.210 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 7.337 -1.365 1.312 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 6.223 -1.550 1.978 0.00 0.00 +0.224 A ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.838 -2.355 -3.003 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -5.173 -2.574 -3.135 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.409 -1.897 -4.211 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -3.265 -3.581 -2.849 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.207 0.613 0.888 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.715 -0.416 1.795 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -4.918 -0.848 2.264 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.739 0.108 2.715 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.073 0.971 3.824 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -6.890 0.164 4.856 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -6.966 -0.974 3.815 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.004 0.613 2.044 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7