REMARK Name = BDB036032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.233 -0.412 -1.173 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.329 -1.826 -1.161 0.00 0.00 +0.017 A ATOM 3 C LIG 1 3.188 -2.651 -1.094 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.949 -2.022 -1.045 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.578 -2.612 -0.972 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.297 -1.447 -0.935 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.440 -0.260 -1.005 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.090 0.905 -1.024 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.857 -0.637 -1.066 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.966 0.186 -1.133 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.712 -1.564 -0.846 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.546 -0.439 -0.753 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -3.960 -0.517 -0.670 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.511 -1.811 -0.686 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.710 -2.948 -0.771 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.323 -2.824 -0.848 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.857 0.817 -0.564 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.372 0.739 -0.961 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -6.163 2.035 -1.646 0.00 0.00 -0.027 C ATOM 20 C LIG 1 -7.054 2.670 -2.661 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -6.849 3.324 -1.319 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -4.700 1.831 -1.753 0.00 0.00 +0.026 C BRANCH 17 23 ATOM 23 C LIG 1 -4.653 1.500 0.866 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.873 0.945 2.098 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.333 -0.379 2.409 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -4.565 1.910 3.007 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -4.183 2.998 2.381 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.233 2.739 1.033 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 3.296 -4.152 -1.077 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.730 -4.695 0.036 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.575 -4.613 -1.113 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.656 -4.726 -2.133 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 5.488 0.439 -1.233 0.00 0.00 +0.119 C BRANCH 33 39 ATOM 34 C LIG 1 8.302 1.073 2.189 0.00 0.00 +0.039 C ATOM 35 C LIG 1 7.019 0.252 2.287 0.00 0.00 +0.129 C ATOM 36 O LIG 1 6.041 1.028 3.003 0.00 0.00 -0.374 OA ATOM 37 C LIG 1 4.912 1.414 2.210 0.00 0.00 +0.175 C ATOM 38 C LIG 1 5.307 1.862 0.794 0.00 0.00 +0.113 C ATOM 39 N LIG 1 6.061 0.844 0.050 0.00 0.00 -0.294 NA ATOM 40 C LIG 1 6.522 -0.251 0.910 0.00 0.00 +0.116 C ENDBRANCH 33 39 ENDBRANCH 1 33 TORSDOF 6