REMARK Name = BDB006465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.856 -1.383 1.320 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.268 -1.827 2.022 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.334 -2.396 1.302 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.606 -2.894 1.688 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -3.258 -3.295 0.548 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -2.440 -3.035 -0.530 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -1.225 -2.546 -0.087 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.061 -2.181 -0.784 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.969 -1.573 -0.059 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 2.321 0.504 1.502 0.00 0.00 -0.305 N ATOM 11 H LIG 1 1.718 0.921 0.792 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 1.917 -0.677 2.071 0.00 0.00 +0.245 C ATOM 13 O LIG 1 2.339 -1.132 3.126 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 3.301 1.381 2.117 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 4.243 1.885 1.032 0.00 0.00 -0.027 A ATOM 16 C LIG 1 3.866 2.890 0.125 0.00 0.00 +0.005 A ATOM 17 C LIG 1 4.746 3.314 -0.875 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.007 2.729 -0.992 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.387 1.715 -0.115 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.511 1.293 0.888 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 1.861 2.049 4.126 0.00 0.00 +0.006 C ATOM 22 C LIG 1 2.637 2.528 2.907 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -2.813 -3.385 -1.900 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -2.664 -2.354 -3.007 0.00 0.00 -0.020 A ATOM 25 C LIG 1 -2.823 -0.954 -2.903 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -2.711 -0.172 -4.078 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -2.459 -0.739 -5.325 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.320 -2.111 -5.434 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.427 -2.905 -4.294 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 -3.054 -0.228 -1.645 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -2.043 0.602 -1.126 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -2.209 1.276 0.088 0.00 0.00 +0.059 A ATOM 33 C LIG 1 -3.401 1.125 0.803 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -4.431 0.341 0.276 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.263 -0.323 -0.944 0.00 0.00 +0.008 A BRANCH 32 36 ATOM 36 C LIG 1 -1.071 2.093 0.582 0.00 0.00 +0.337 C ATOM 37 O LIG 1 0.095 1.839 0.326 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -1.446 3.180 1.287 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -2.400 3.368 1.277 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9