REMARK Name = BDB026148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.770 -0.310 0.145 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.479 0.990 -0.289 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.462 1.886 -0.468 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.828 1.414 -0.530 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.901 0.542 -0.349 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.623 -0.783 0.073 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.307 -1.196 0.314 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.247 0.916 -0.543 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.873 1.512 0.664 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.865 3.065 0.645 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.509 3.615 1.923 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.440 3.656 -0.597 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.884 3.447 -0.721 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.669 3.123 -1.755 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.137 3.687 -3.103 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.597 1.570 -1.824 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 6.194 -1.558 1.327 0.00 0.00 +0.247 C ATOM 18 N LIG 1 4.867 -1.406 0.921 0.00 0.00 -0.293 N ATOM 19 C LIG 1 4.481 -1.196 -0.476 0.00 0.00 +0.113 C ATOM 20 C LIG 1 3.239 -0.310 -0.568 0.00 0.00 +0.054 C ATOM 21 C LIG 1 2.161 -0.760 0.389 0.00 0.00 -0.038 C ATOM 22 C LIG 1 2.478 -1.548 1.437 0.00 0.00 -0.004 C ATOM 23 C LIG 1 3.861 -2.040 1.761 0.00 0.00 +0.135 C ATOM 24 O LIG 1 6.530 -2.225 2.303 0.00 0.00 -0.270 OA BRANCH 17 28 ATOM 25 C LIG 1 9.310 0.474 -0.789 0.00 0.00 +0.120 A ATOM 26 C LIG 1 9.414 -0.892 -0.503 0.00 0.00 +0.046 A ATOM 27 C LIG 1 8.396 -1.555 0.186 0.00 0.00 +0.016 A ATOM 28 C LIG 1 7.255 -0.852 0.575 0.00 0.00 +0.037 A ATOM 29 C LIG 1 7.153 0.519 0.314 0.00 0.00 +0.016 A ATOM 30 C LIG 1 8.177 1.179 -0.375 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 10.342 2.389 -1.750 0.00 0.00 +0.277 C ATOM 32 O LIG 1 10.377 0.996 -1.467 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 17 28 ENDBRANCH 1 21 BRANCH 6 33 ATOM 33 N LIG 1 -2.746 -1.631 0.196 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -3.609 -1.153 -0.057 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 -2.778 -2.957 0.548 0.00 0.00 +0.250 C ATOM 36 O LIG 1 -1.836 -3.683 0.835 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -4.157 -3.519 0.508 0.00 0.00 +0.065 A ATOM 38 C LIG 1 -5.182 -3.222 1.502 0.00 0.00 +0.073 A ATOM 39 C LIG 1 -6.398 -3.792 1.381 0.00 0.00 +0.083 A ATOM 40 C LIG 1 -6.696 -4.710 0.253 0.00 0.00 +0.249 A ATOM 41 O LIG 1 -7.802 -5.217 0.124 0.00 0.00 -0.268 OA ATOM 42 N LIG 1 -5.660 -4.939 -0.618 0.00 0.00 -0.328 N ATOM 43 H LIG 1 -5.856 -5.582 -1.378 0.00 0.00 +0.168 HD ATOM 44 C LIG 1 -4.417 -4.369 -0.498 0.00 0.00 +0.099 A BRANCH 38 45 ATOM 45 C LIG 1 -4.842 -2.314 2.641 0.00 0.00 +0.418 C ATOM 46 F LIG 1 -3.715 -2.687 3.291 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -5.830 -2.266 3.574 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -4.663 -1.037 2.217 0.00 0.00 -0.166 F ENDBRANCH 38 45 ENDBRANCH 35 37 ENDBRANCH 6 33 TORSDOF 7