REMARK Name = BDB028059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.278 1.262 0.257 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.505 1.085 1.642 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.444 0.871 2.545 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.154 0.845 2.020 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.154 0.639 2.713 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.130 0.719 1.635 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.508 0.950 0.402 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.971 1.088 -0.715 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.936 1.022 0.659 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.966 1.229 -0.239 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.525 0.568 1.868 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.459 0.617 0.821 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.855 0.472 1.011 0.00 0.00 -0.035 A ATOM 14 C LIG 1 5.284 0.259 2.331 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.383 0.202 3.392 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.016 0.358 3.162 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.878 0.538 -0.222 0.00 0.00 +0.049 C ATOM 18 C LIG 1 7.195 1.348 -0.043 0.00 0.00 +0.174 C ATOM 19 O LIG 1 7.032 1.938 -1.364 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.609 1.639 -1.293 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.050 -0.843 -0.889 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 7.006 -1.736 -0.170 0.00 0.00 +0.134 A ATOM 23 N LIG 1 8.214 -2.158 -0.664 0.00 0.00 -0.320 N ATOM 24 C LIG 1 8.803 -1.844 -1.939 0.00 0.00 +0.151 C ATOM 25 C LIG 1 8.772 -2.935 0.303 0.00 0.00 +0.224 A ATOM 26 N LIG 1 7.965 -2.996 1.334 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 6.851 -2.251 1.034 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 -2.685 0.676 4.017 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -2.206 -0.517 4.465 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -4.000 0.709 4.366 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.070 1.628 4.770 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.442 1.483 -0.692 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 -7.858 1.137 -3.583 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -6.984 0.806 -2.373 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -5.497 0.774 -2.771 0.00 0.00 +0.088 C ATOM 36 N LIG 1 -4.593 0.401 -1.673 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -5.001 -0.890 -1.090 0.00 0.00 +0.090 C ATOM 38 C LIG 1 -6.463 -0.928 -0.606 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -7.404 -0.535 -1.755 0.00 0.00 +0.011 C BRANCH 38 40 ATOM 40 C LIG 1 -6.821 -2.303 -0.030 0.00 0.00 +0.160 C BRANCH 40 41 ATOM 41 O LIG 1 -6.702 -3.318 -1.015 0.00 0.00 -0.395 OA ATOM 42 H LIG 1 -6.942 -4.161 -0.593 0.00 0.00 +0.209 HD ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 9