REMARK Name = BDB035388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.127 1.815 0.626 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.445 0.551 0.447 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.062 -0.544 0.277 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.901 0.727 0.512 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.893 -0.228 0.376 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.226 0.193 0.476 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.511 1.563 0.701 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.489 2.521 0.840 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.176 2.070 0.739 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.894 2.833 0.838 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.878 1.415 0.348 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.487 1.154 0.342 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.515 2.127 0.625 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.958 3.424 0.908 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.320 3.725 0.929 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.259 2.733 0.658 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.922 -0.809 -1.620 0.00 0.00 +0.069 C ATOM 18 C LIG 1 -6.035 0.634 -1.062 0.00 0.00 +0.054 C ATOM 19 C LIG 1 -4.976 0.279 0.039 0.00 0.00 +0.061 C ATOM 20 C LIG 1 -4.565 -0.918 -0.881 0.00 0.00 +0.054 C ATOM 21 C LIG 1 -5.829 -0.831 -3.143 0.00 0.00 +0.041 C BRANCH 19 22 ATOM 22 C LIG 1 -5.655 -0.154 1.410 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.183 -1.020 2.359 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.964 -1.780 2.357 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.101 -1.013 3.365 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.072 -0.181 3.071 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.786 0.369 1.845 0.00 0.00 -0.134 NA ENDBRANCH 19 22 BRANCH 17 29 ATOM 28 C LIG 1 -6.860 -3.085 -1.446 0.00 0.00 +0.194 C ATOM 29 O LIG 1 -6.971 -1.698 -1.160 0.00 0.00 -0.377 OA ENDBRANCH 17 29 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.794 3.976 1.071 0.00 0.00 +0.418 C ATOM 31 F LIG 1 5.116 4.246 1.235 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.370 4.759 0.041 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.170 4.460 2.182 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.362 -0.799 0.318 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.030 -0.585 -0.962 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.325 -0.617 -1.699 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.219 -1.402 -1.272 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.965 -2.914 -1.087 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.725 -2.857 0.255 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.241 -1.452 -0.117 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.796 -0.998 -2.620 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8