REMARK Name = BDB027346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.726 -1.122 0.373 0.00 0.00 +0.072 A ATOM 2 N LIG 1 2.062 -1.969 -0.440 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.790 -1.648 -0.786 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.089 -0.515 -0.364 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.805 0.371 0.460 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.125 0.046 0.838 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.758 -2.357 1.384 0.00 0.00 +0.190 A ATOM 8 C LIG 1 5.760 -3.288 1.105 0.00 0.00 +0.168 A ATOM 9 F LIG 1 6.002 -4.606 1.142 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.462 -2.882 0.778 0.00 0.00 +0.052 A ATOM 11 C LIG 1 4.104 -1.523 0.721 0.00 0.00 +0.006 A ATOM 12 C LIG 1 5.115 -0.590 0.995 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.409 -1.007 1.320 0.00 0.00 +0.168 A ATOM 14 F LIG 1 7.329 -0.063 1.572 0.00 0.00 -0.202 F BRANCH 7 16 ATOM 15 C LIG 1 8.464 -3.975 1.769 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.059 -2.613 1.718 0.00 0.00 -0.490 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.221 -0.267 -0.749 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.278 -0.302 0.290 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.496 -1.170 -0.153 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.056 -0.641 -1.498 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.016 0.061 -2.380 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.602 -0.456 -2.153 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.039 -2.580 -0.385 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.045 -2.552 -0.619 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.054 -3.041 0.534 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.604 -1.237 0.944 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.159 0.117 1.406 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.146 -0.117 2.317 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -4.211 0.828 2.063 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.080 -1.971 2.081 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.729 -1.866 2.804 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.235 1.693 0.927 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -0.138 2.582 -0.162 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.262 3.363 -0.199 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -1.179 4.051 -1.399 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -2.236 4.926 -1.697 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -3.259 5.030 -0.818 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -3.195 4.314 0.325 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -0.028 3.712 -2.082 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.239 3.449 0.719 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 0.579 2.841 -1.302 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -2.292 5.681 -2.861 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -1.694 5.332 -3.602 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -3.232 5.965 -3.098 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10