REMARK Name = BDB006478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.326 0.427 0.196 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.030 -0.377 -0.915 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.862 -1.173 -0.914 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.287 -2.077 -1.861 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.879 -2.577 -1.300 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.038 -1.988 -0.060 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.856 -3.551 -1.868 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.835 -2.427 -3.201 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.019 -1.131 0.199 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.296 -0.312 1.308 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.457 0.466 1.286 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.647 0.780 -0.440 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.629 -0.186 -0.734 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.550 1.273 0.238 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.552 2.320 0.875 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.950 1.427 -0.345 0.00 0.00 +0.104 C ATOM 17 C LIG 1 6.764 1.152 -1.609 0.00 0.00 +0.033 C BRANCH 16 19 ATOM 18 C LIG 1 7.372 1.897 1.716 0.00 0.00 +0.125 A ATOM 19 C LIG 1 6.712 0.971 0.889 0.00 0.00 +0.017 A ATOM 20 C LIG 1 6.804 -0.391 1.225 0.00 0.00 +0.047 A ATOM 21 C LIG 1 7.526 -0.795 2.345 0.00 0.00 +0.124 A ATOM 22 F LIG 1 7.599 -2.098 2.644 0.00 0.00 -0.205 F ATOM 23 C LIG 1 8.183 0.128 3.148 0.00 0.00 +0.042 A ATOM 24 C LIG 1 8.114 1.481 2.828 0.00 0.00 +0.049 A BRANCH 18 26 ATOM 25 C LIG 1 6.491 3.947 2.271 0.00 0.00 +0.277 C ATOM 26 O LIG 1 7.357 3.228 1.389 0.00 0.00 -0.495 OA ENDBRANCH 18 26 ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -2.132 -2.263 0.875 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.427 -1.591 0.485 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.613 -2.337 0.434 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.828 -1.726 0.111 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.892 -0.352 -0.156 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.707 0.395 -0.097 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.491 -0.215 0.225 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.165 0.289 -0.507 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.937 1.037 0.404 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -9.126 1.659 -0.018 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.557 1.542 -1.339 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.807 0.802 -2.247 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.624 0.183 -1.835 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.544 1.159 1.831 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -7.011 0.321 2.530 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.851 2.376 2.322 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.526 2.337 3.246 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 9