REMARK Name = BDB030549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.194 -1.494 -1.041 0.00 0.00 -0.326 N ATOM 2 H LIG 1 -0.074 -0.507 -1.299 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 3.013 -1.715 0.757 0.00 0.00 +0.162 A ATOM 4 C LIG 1 2.067 -1.369 -0.208 0.00 0.00 +0.203 A ATOM 5 F LIG 1 2.402 -0.621 -1.275 0.00 0.00 -0.198 F ATOM 6 C LIG 1 0.756 -1.808 -0.046 0.00 0.00 +0.159 A ATOM 7 N LIG 1 0.405 -2.577 1.000 0.00 0.00 -0.218 NA ATOM 8 C LIG 1 1.379 -2.881 1.868 0.00 0.00 +0.225 A ATOM 9 N LIG 1 2.660 -2.488 1.805 0.00 0.00 -0.218 NA BRANCH 3 10 ATOM 10 N LIG 1 4.356 -1.286 0.632 0.00 0.00 -0.309 N BRANCH 10 12 ATOM 11 C LIG 1 5.615 -3.395 0.877 0.00 0.00 +0.024 C ATOM 12 C LIG 1 5.321 -2.022 1.467 0.00 0.00 +0.103 C ENDBRANCH 10 12 BRANCH 10 13 ATOM 13 C LIG 1 4.477 0.181 0.693 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 C LIG 1 5.675 0.659 -0.105 0.00 0.00 -0.030 A ATOM 15 C LIG 1 6.637 1.493 0.479 0.00 0.00 +0.006 A ATOM 16 C LIG 1 7.729 1.948 -0.267 0.00 0.00 +0.013 A ATOM 17 C LIG 1 7.876 1.584 -1.613 0.00 0.00 +0.055 A ATOM 18 C LIG 1 6.909 0.753 -2.199 0.00 0.00 +0.013 A ATOM 19 C LIG 1 5.819 0.300 -1.453 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 9.052 2.061 -2.428 0.00 0.00 +0.417 C ATOM 21 F LIG 1 9.880 1.043 -2.794 0.00 0.00 -0.166 F ATOM 22 F LIG 1 8.676 2.670 -3.587 0.00 0.00 -0.166 F ATOM 23 F LIG 1 9.838 2.962 -1.774 0.00 0.00 -0.166 F ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 3 10 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 C LIG 1 -1.591 -1.776 -0.724 0.00 0.00 +0.109 C BRANCH 24 25 ATOM 25 C LIG 1 -2.212 -0.672 0.152 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -2.391 0.645 -0.623 0.00 0.00 +0.133 C ATOM 27 C LIG 1 -3.143 1.680 0.242 0.00 0.00 +0.117 C ATOM 28 N LIG 1 -4.452 1.238 0.778 0.00 0.00 -0.285 NA ATOM 29 C LIG 1 -4.244 -0.024 1.520 0.00 0.00 +0.086 C ATOM 30 C LIG 1 -3.564 -1.134 0.712 0.00 0.00 +0.023 C BRANCH 26 31 ATOM 31 O LIG 1 -1.110 1.165 -0.991 0.00 0.00 -0.390 OA ATOM 32 H LIG 1 -1.262 1.962 -1.532 0.00 0.00 +0.210 HD ENDBRANCH 26 31 BRANCH 28 33 ATOM 33 C LIG 1 -5.497 1.119 -0.297 0.00 0.00 +0.174 C BRANCH 33 34 ATOM 34 C LIG 1 -6.852 0.621 0.196 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -7.553 -0.342 -0.542 0.00 0.00 +0.025 A ATOM 36 C LIG 1 -8.790 -0.767 -0.084 0.00 0.00 +0.111 A ATOM 37 N LIG 1 -9.374 -0.307 1.042 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 -8.694 0.630 1.736 0.00 0.00 +0.111 A ATOM 39 C LIG 1 -7.454 1.121 1.358 0.00 0.00 +0.025 A ENDBRANCH 33 34 BRANCH 33 40 ATOM 40 C LIG 1 -5.701 2.488 -1.007 0.00 0.00 +0.232 C ATOM 41 O LIG 1 -5.786 2.608 -2.227 0.00 0.00 -0.274 OA ATOM 42 N LIG 1 -5.786 3.583 -0.188 0.00 0.00 -0.328 N ATOM 43 H LIG 1 -5.425 3.504 0.755 0.00 0.00 +0.145 HD ATOM 44 H LIG 1 -5.813 4.493 -0.627 0.00 0.00 +0.145 HD ENDBRANCH 33 40 ENDBRANCH 28 33 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 12