REMARK Name = BDB035734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.291 -1.101 0.767 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.926 -1.538 1.304 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.174 -2.291 2.227 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.993 -0.906 0.516 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.363 -1.024 0.667 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.183 -0.313 -0.218 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.593 0.498 -1.219 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.197 0.604 -1.361 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.410 -0.117 -0.467 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.077 -0.201 -0.358 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.044 -1.268 1.003 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.739 -0.963 0.567 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.593 -1.438 1.234 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.783 -2.241 2.362 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.066 -2.556 2.816 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.184 -2.074 2.144 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.317 -0.793 0.303 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.274 -3.167 -1.583 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.623 -2.907 -1.159 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.099 -1.902 -0.351 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.408 -2.050 -0.245 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.786 -3.149 -0.973 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.705 -3.656 -1.511 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.097 0.353 -0.693 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.637 1.724 -0.119 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -5.561 2.409 -1.154 0.00 0.00 +0.125 C ATOM 27 C LIG 1 -6.380 1.098 -1.164 0.00 0.00 +0.036 C BRANCH 26 28 ATOM 28 O LIG 1 -6.269 3.577 -0.702 0.00 0.00 -0.319 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.564 4.798 -0.814 0.00 0.00 +0.483 C ATOM 30 F LIG 1 -4.321 4.635 -0.304 0.00 0.00 -0.178 F ATOM 31 F LIG 1 -6.199 5.714 -0.049 0.00 0.00 -0.178 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 1.571 1.473 -2.418 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.459 1.996 -3.304 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.897 2.527 -1.883 0.00 0.00 -0.166 F ATOM 35 F LIG 1 0.653 0.792 -3.161 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.691 -0.383 -0.093 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.216 0.891 0.401 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.698 1.142 1.244 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.676 0.857 0.589 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.034 0.048 1.869 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.938 1.227 2.286 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.065 2.135 1.393 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.481 0.628 -0.678 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10