REMARK Name = BDB028037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.800 -0.972 -0.565 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.234 -0.585 -1.805 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.843 -0.467 -1.983 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.035 -0.749 -0.885 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.453 -0.709 -0.759 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.692 -1.100 0.625 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.510 -1.354 1.294 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.737 -1.694 2.441 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.594 -1.130 0.329 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.958 -1.251 0.520 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.002 -1.204 1.169 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.133 -0.898 0.386 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.464 -0.989 0.865 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.614 -1.392 2.203 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.515 -1.702 3.002 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.222 -1.609 2.486 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.741 -0.597 -0.074 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -5.722 -1.180 -1.523 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.663 -2.220 -1.154 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -7.000 -1.507 0.058 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.967 0.918 0.082 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -7.092 1.507 -0.695 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.294 1.919 -0.177 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -8.728 1.872 1.193 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.012 2.407 -1.225 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.298 2.320 -2.321 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.087 1.766 -1.987 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.246 -0.041 -3.297 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.156 0.120 -4.294 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.334 -0.941 -3.760 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.578 1.141 -3.196 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.305 -1.085 -0.418 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 9.747 0.055 0.258 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.262 0.369 0.431 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.459 -0.022 -0.817 0.00 0.00 +0.088 C ATOM 36 N LIG 1 6.006 0.183 -0.680 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.653 1.213 0.313 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.669 2.352 0.349 0.00 0.00 +0.016 C ATOM 39 C LIG 1 8.055 1.855 0.760 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7