REMARK Name = BDB035786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.554 0.152 -0.952 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.013 -0.958 -1.645 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.631 -1.225 -1.657 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.808 -0.352 -0.951 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.675 -0.370 -0.775 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.937 0.789 0.070 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.249 1.460 0.388 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.456 2.451 1.063 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.344 0.731 -0.265 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.699 1.008 -0.244 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.251 1.152 0.476 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.358 0.368 0.107 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.673 0.707 0.490 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.875 1.863 1.254 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.791 2.648 1.631 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.494 2.294 1.247 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.841 -0.181 0.069 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 6.647 -0.651 1.246 0.00 0.00 +0.139 A ATOM 19 N LIG 1 6.091 -1.190 2.379 0.00 0.00 -0.331 N ATOM 20 H LIG 1 5.107 -1.303 2.573 0.00 0.00 +0.168 HD ATOM 21 C LIG 1 7.131 -1.494 3.202 0.00 0.00 +0.222 A ATOM 22 N LIG 1 8.260 -1.176 2.616 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 7.957 -0.644 1.385 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 6.713 0.576 -0.938 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.675 -0.309 -1.753 0.00 0.00 +0.166 C ATOM 26 O LIG 1 6.799 -0.248 -2.908 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 6.081 0.859 -2.312 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -1.057 -2.406 -2.391 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.982 -3.157 -3.045 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.398 -3.256 -1.555 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.142 -2.031 -3.327 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -5.049 0.388 -0.951 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -5.713 -0.591 -0.089 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 -5.245 -0.583 0.818 0.00 0.00 +0.123 HD BRANCH 33 36 ATOM 35 C LIG 1 -7.909 -0.518 -1.328 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -7.167 -0.370 -0.012 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.705 -1.260 1.150 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.505 -0.031 1.632 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.476 0.854 0.897 0.00 0.00 +0.022 C ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8