REMARK Name = BDB035640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.372 -1.412 -1.123 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.276 -0.444 -0.350 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.120 0.612 0.108 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.660 -0.896 -0.167 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.683 -0.284 0.535 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.932 -0.918 0.557 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.111 -2.137 -0.142 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.059 -2.746 -0.853 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.827 -2.098 -0.845 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.542 -2.482 -1.504 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.999 -0.445 -1.417 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.647 -0.462 -1.017 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.738 -1.407 -1.516 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.223 -2.367 -2.418 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.560 -2.372 -2.819 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.442 -1.417 -2.324 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.006 0.571 -0.867 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -3.529 2.417 -2.942 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -3.805 2.727 -1.565 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.438 1.950 -0.622 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.506 2.650 0.496 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -3.898 3.863 0.297 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -3.471 3.890 -0.941 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.787 -0.031 0.341 0.00 0.00 +0.008 C ATOM 25 C LIG 1 -7.066 0.772 0.671 0.00 0.00 +0.032 C ATOM 26 C LIG 1 -7.449 0.667 2.143 0.00 0.00 +0.160 C ATOM 27 O LIG 1 -7.195 -0.653 2.608 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -5.798 -0.934 2.706 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -4.958 -0.268 1.614 0.00 0.00 +0.032 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.251 -4.035 -1.605 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.001 -3.892 -2.936 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.403 -5.010 -1.175 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.503 -4.553 -1.508 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.099 -0.288 1.288 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.027 0.311 0.327 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.493 0.927 -0.287 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.168 0.967 0.987 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.720 2.311 1.628 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.928 2.975 0.934 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.892 1.824 -0.095 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.072 0.037 1.777 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8