REMARK Name = BDB061746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -1.659 2.241 0.00 0.00 -0.046 A ATOM 2 C LIG 1 0.609 -1.482 0.858 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -0.513 -1.145 0.094 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -1.765 -0.973 0.697 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -1.877 -1.154 2.076 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.754 -1.491 2.842 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.845 -0.641 -0.146 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -2.622 -0.526 -1.122 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -4.137 -0.296 0.224 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -4.928 -0.138 -0.901 0.00 0.00 -0.266 N ATOM 11 H LIG 1 -4.566 -0.484 -1.780 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -4.526 -0.150 1.374 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 -6.276 0.277 -0.976 0.00 0.00 +0.077 A ATOM 14 C LIG 1 -6.895 0.197 -2.243 0.00 0.00 +0.141 A ATOM 15 C LIG 1 -8.225 0.597 -2.391 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -8.939 1.077 -1.290 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -8.338 1.161 -0.027 0.00 0.00 +0.057 A ATOM 18 C LIG 1 -6.998 0.765 0.117 0.00 0.00 +0.039 A BRANCH 17 19 ATOM 19 C LIG 1 -9.098 1.708 1.157 0.00 0.00 +0.417 C ATOM 20 F LIG 1 -8.815 1.067 2.324 0.00 0.00 -0.166 F ATOM 21 F LIG 1 -10.450 1.620 1.007 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -8.836 3.027 1.375 0.00 0.00 -0.166 F ENDBRANCH 17 19 BRANCH 14 23 ATOM 23 O LIG 1 -6.100 -0.287 -3.258 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -6.684 -0.369 -4.553 0.00 0.00 +0.277 C ENDBRANCH 14 23 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 25 ATOM 25 C LIG 1 1.714 -2.002 3.072 0.00 0.00 +0.054 C BRANCH 25 26 ATOM 26 C LIG 1 2.490 -0.763 3.543 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.182 -0.081 2.443 0.00 0.00 -0.328 N ATOM 28 H LIG 1 3.322 0.903 2.653 0.00 0.00 +0.147 HD BRANCH 27 38 ATOM 29 C LIG 1 6.570 0.969 -1.234 0.00 0.00 +0.158 A ATOM 30 C LIG 1 5.358 1.552 -0.872 0.00 0.00 +0.166 A ATOM 31 F LIG 1 4.882 2.606 -1.552 0.00 0.00 -0.202 F ATOM 32 C LIG 1 4.614 1.056 0.191 0.00 0.00 +0.055 A ATOM 33 C LIG 1 5.081 -0.053 0.928 0.00 0.00 +0.043 A ATOM 34 C LIG 1 6.297 -0.654 0.568 0.00 0.00 +0.080 A ATOM 35 N LIG 1 6.788 -1.716 1.208 0.00 0.00 -0.235 NA ATOM 36 C LIG 1 6.053 -2.203 2.214 0.00 0.00 +0.223 A ATOM 37 N LIG 1 4.885 -1.720 2.648 0.00 0.00 -0.220 NA ATOM 38 C LIG 1 4.407 -0.635 2.018 0.00 0.00 +0.130 A ATOM 39 C LIG 1 7.023 -0.130 -0.500 0.00 0.00 +0.077 A BRANCH 29 40 ATOM 40 O LIG 1 7.212 1.550 -2.291 0.00 0.00 -0.489 OA BRANCH 40 42 ATOM 41 C LIG 1 9.628 1.445 -2.121 0.00 0.00 +0.048 C ATOM 42 C LIG 1 8.383 0.933 -2.824 0.00 0.00 +0.226 C ENDBRANCH 40 42 ENDBRANCH 29 40 ENDBRANCH 27 38 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 10