REMARK Name = BDB035790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.929 0.416 -1.539 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.099 -0.899 -2.048 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.141 -1.910 -1.842 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.006 -1.569 -1.114 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.146 -2.424 -0.687 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.001 -1.501 0.047 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.441 -0.219 0.099 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.833 0.804 0.628 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.831 -0.277 -0.632 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.763 0.727 -0.823 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.206 -1.923 0.672 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.071 -1.010 1.299 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.254 -1.417 1.948 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.550 -2.790 1.969 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.720 -3.708 1.334 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.564 -3.276 0.682 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.218 -0.459 2.649 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -6.639 -0.615 2.173 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -7.131 -0.389 0.911 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.440 0.046 -0.275 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -8.467 -0.660 0.976 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.785 -1.029 2.193 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.639 -1.001 2.946 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -4.802 1.011 2.604 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -3.692 1.457 3.574 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.476 2.611 3.979 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.664 1.984 3.434 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.330 -3.303 -2.380 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.542 -3.517 -2.957 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.200 -4.252 -1.410 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.399 -3.614 -3.325 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 4.089 1.856 -3.220 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.013 1.479 -1.736 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 5.277 0.965 -1.179 0.00 0.00 -0.304 NA ATOM 35 H LIG 1 5.073 0.599 -0.245 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.400 1.921 -1.163 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.192 1.836 -2.502 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.484 1.686 -1.665 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.603 1.156 -0.511 0.00 0.00 +0.022 C ATOM 40 C LIG 1 6.114 3.277 -0.543 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8