REMARK Name = BDB027354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.502 -1.044 0.180 0.00 0.00 +0.075 A ATOM 2 N LIG 1 -1.966 -1.719 1.226 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 -0.645 -1.547 1.471 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.215 -0.724 0.735 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.357 -0.026 -0.338 0.00 0.00 -0.003 A ATOM 6 C LIG 1 -1.730 -0.187 -0.601 0.00 0.00 +0.035 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.533 -1.453 -1.307 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -3.952 -1.243 -0.030 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -4.806 -1.232 1.096 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -6.184 -1.400 0.968 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -6.726 -1.587 -0.292 0.00 0.00 +0.127 A ATOM 12 F LIG 1 -8.049 -1.748 -0.424 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -5.920 -1.617 -1.425 0.00 0.00 +0.084 A BRANCH 7 15 ATOM 14 C LIG 1 -4.218 -1.781 -3.659 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -3.671 -1.500 -2.376 0.00 0.00 -0.494 OA ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 4 16 ATOM 16 N LIG 1 1.596 -0.598 1.008 0.00 0.00 -0.327 N ATOM 17 C LIG 1 2.344 -1.777 0.495 0.00 0.00 +0.129 C ATOM 18 C LIG 1 3.827 -1.812 1.007 0.00 0.00 +0.064 C ATOM 19 C LIG 1 4.257 -0.400 1.464 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.336 0.181 2.545 0.00 0.00 +0.021 C ATOM 21 C LIG 1 1.891 -0.309 2.425 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 3.917 -2.690 2.219 0.00 0.00 -0.321 NA ATOM 23 H LIG 1 4.917 -2.746 2.454 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 3.681 -3.650 1.965 0.00 0.00 +0.119 HD ENDBRANCH 18 22 BRANCH 18 25 ATOM 25 C LIG 1 4.775 -2.407 -0.083 0.00 0.00 +0.202 C BRANCH 25 26 ATOM 26 C LIG 1 4.975 -1.530 -1.329 0.00 0.00 +0.371 C ATOM 27 F LIG 1 5.702 -0.426 -1.035 0.00 0.00 -0.206 F ATOM 28 F LIG 1 5.720 -2.235 -2.226 0.00 0.00 -0.206 F ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 O LIG 1 6.052 -2.714 0.531 0.00 0.00 -0.384 OA ATOM 30 H LIG 1 6.713 -2.760 -0.189 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 18 25 ENDBRANCH 4 16 BRANCH 5 31 ATOM 31 C LIG 1 0.439 0.932 -1.188 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 0.307 2.295 -0.716 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -0.577 3.230 -1.180 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -0.287 4.378 -0.459 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -1.068 5.511 -0.740 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -2.049 5.408 -1.665 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -2.211 4.224 -2.296 0.00 0.00 +0.225 A ATOM 38 N LIG 1 0.748 4.155 0.428 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -1.521 3.079 -2.124 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 1.084 2.895 0.239 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -0.895 6.732 -0.099 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -0.409 6.650 0.788 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -1.735 7.295 -0.124 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 10