REMARK Name = BDB025749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.600 0.051 -0.723 0.00 0.00 +0.019 A ATOM 2 C LIG 1 2.389 -1.325 -0.536 0.00 0.00 +0.133 A ATOM 3 F LIG 1 3.407 -2.190 -0.670 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.136 -1.848 -0.216 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.037 -0.999 -0.079 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.224 0.391 -0.268 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.488 0.902 -0.578 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.262 -1.459 0.260 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -1.332 -1.893 1.678 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.798 -2.274 2.040 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.910 -2.612 3.530 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.390 -3.318 1.148 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -2.828 -4.651 1.374 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.252 -2.855 -0.267 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.855 -3.826 -1.286 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -1.793 -2.482 -0.670 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 22 ATOM 17 C LIG 1 6.304 0.746 -0.713 0.00 0.00 +0.215 A ATOM 18 N LIG 1 6.468 1.660 -1.690 0.00 0.00 -0.218 NA ATOM 19 C LIG 1 5.361 2.051 -2.358 0.00 0.00 +0.043 A ATOM 20 C LIG 1 5.538 3.069 -3.445 0.00 0.00 +0.066 C ATOM 21 C LIG 1 4.093 1.548 -2.073 0.00 0.00 +0.032 A ATOM 22 C LIG 1 3.931 0.597 -1.056 0.00 0.00 -0.008 A ATOM 23 C LIG 1 5.080 0.197 -0.366 0.00 0.00 +0.075 A BRANCH 17 25 ATOM 24 C LIG 1 8.616 0.912 -0.400 0.00 0.00 +0.279 C ATOM 25 O LIG 1 7.395 0.307 0.012 0.00 0.00 -0.480 OA ENDBRANCH 17 25 ENDBRANCH 1 22 BRANCH 6 26 ATOM 26 N LIG 1 -0.937 1.181 -0.122 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.749 0.612 0.117 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.077 2.530 -0.320 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.220 3.322 -0.690 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.476 3.001 -0.104 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -3.163 2.976 1.184 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.424 3.445 1.266 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -5.114 3.981 0.066 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -6.264 4.394 0.128 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -4.379 3.979 -1.092 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -4.842 4.363 -1.909 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -3.091 3.511 -1.183 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -2.435 2.466 2.388 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -3.107 2.716 3.542 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.206 3.016 2.531 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.273 1.119 2.331 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 6