REMARK Name = BDB035499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.832 0.650 0.717 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.471 0.691 1.226 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.883 0.722 2.372 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.380 0.691 0.073 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.763 0.723 0.065 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.426 0.706 -1.175 0.00 0.00 -0.027 A ATOM 7 C LIG 1 -2.651 0.629 -2.361 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.242 0.605 -2.336 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.624 0.641 -1.090 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.830 0.626 -0.741 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.525 0.589 1.524 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.288 0.625 0.832 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.036 0.622 1.474 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.030 0.584 2.869 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.225 0.547 3.591 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.449 0.549 2.926 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.910 0.585 0.717 0.00 0.00 +0.055 C ATOM 18 C LIG 1 7.249 0.919 1.467 0.00 0.00 +0.019 C ATOM 19 C LIG 1 7.691 1.727 0.231 0.00 0.00 +0.003 C ATOM 20 C LIG 1 6.202 1.886 -0.123 0.00 0.00 +0.019 C BRANCH 17 23 ATOM 21 C LIG 1 5.889 -2.511 1.652 0.00 0.00 +0.151 C ATOM 22 N LIG 1 6.011 -2.041 0.300 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.022 -0.747 -0.148 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.119 -0.755 -1.462 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 6.181 -2.064 -1.877 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 6.114 -2.824 -0.808 0.00 0.00 +0.224 A ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -0.430 0.531 -3.601 0.00 0.00 +0.418 C ATOM 28 F LIG 1 0.446 1.567 -3.713 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.323 -0.602 -3.660 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.178 0.546 -4.737 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 CA LIG 1 -4.957 0.718 -1.196 0.00 0.00 +0.110 C BRANCH 31 32 ATOM 32 N LIG 1 -5.426 -0.673 -1.266 0.00 0.00 -0.302 NA ATOM 33 H LIG 1 -5.541 -0.969 -2.236 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.554 -0.980 -0.374 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.045 -1.084 1.095 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -6.814 -2.419 1.199 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -6.683 -2.535 -0.337 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.843 -0.233 -0.658 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 39 ATOM 39 C LIG 1 -5.542 1.595 -2.341 0.00 0.00 +0.179 C BRANCH 39 40 ATOM 40 O LIG 1 -5.114 2.956 -2.260 0.00 0.00 -0.393 OA ATOM 41 H LIG 1 -5.328 3.283 -1.367 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 31 39 ENDBRANCH 6 31 TORSDOF 9