REMARK Name = BDB026024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.539 -0.614 -0.138 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.371 0.770 -0.285 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.433 1.589 -0.339 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.109 1.364 -0.371 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.049 0.588 -0.314 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.901 -0.815 -0.182 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.372 -1.396 -0.091 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.344 1.141 -0.350 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.604 2.215 -1.329 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.025 2.811 -1.121 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.375 3.720 -2.306 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.234 3.393 0.229 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.406 4.834 0.314 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.356 2.816 1.278 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.113 3.655 1.625 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.951 1.341 0.992 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 N LIG 1 5.176 -1.474 -0.125 0.00 0.00 -0.307 N ATOM 18 C LIG 1 4.151 -0.445 -0.215 0.00 0.00 +0.142 C ATOM 19 C LIG 1 2.877 -1.232 -0.046 0.00 0.00 -0.023 C ATOM 20 C LIG 1 3.166 -2.521 0.197 0.00 0.00 -0.002 C ATOM 21 C LIG 1 4.638 -2.778 0.219 0.00 0.00 +0.134 C BRANCH 17 26 ATOM 22 C LIG 1 8.441 0.117 -0.260 0.00 0.00 +0.219 A ATOM 23 N LIG 1 9.267 -0.900 0.018 0.00 0.00 -0.201 NA ATOM 24 C LIG 1 8.655 -2.066 0.232 0.00 0.00 +0.227 A ATOM 25 N LIG 1 7.333 -2.289 0.196 0.00 0.00 -0.220 NA ATOM 26 C LIG 1 6.527 -1.246 -0.079 0.00 0.00 +0.129 A ATOM 27 C LIG 1 7.069 0.000 -0.323 0.00 0.00 +0.110 A BRANCH 22 29 ATOM 28 C LIG 1 10.375 1.428 -0.430 0.00 0.00 +0.279 C ATOM 29 O LIG 1 8.954 1.377 -0.507 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 17 26 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.100 -1.561 -0.188 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.917 -0.969 -0.322 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.262 -2.918 -0.074 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.403 -3.777 0.060 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.695 -3.314 -0.150 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.599 -3.259 0.991 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.883 -3.636 0.829 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.374 -4.103 -0.491 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.540 -4.438 -0.652 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.442 -4.129 -1.499 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.774 -4.464 -2.398 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.132 -3.751 -1.342 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.061 -2.800 2.311 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.005 -3.536 2.728 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.994 -2.868 3.297 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.659 -1.504 2.262 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7