REMARK Name = BDB047249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.819 -1.605 0.129 0.00 0.00 +0.263 C ATOM 2 N LIG 1 0.876 -0.583 0.425 0.00 0.00 -0.280 N ATOM 3 C LIG 1 0.957 0.761 0.038 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -0.128 1.436 0.602 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.252 2.835 0.402 0.00 0.00 +0.056 A ATOM 6 C LIG 1 0.671 3.523 -0.388 0.00 0.00 +0.131 A ATOM 7 C LIG 1 1.711 2.819 -0.985 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -0.945 0.475 1.274 0.00 0.00 -0.014 A ATOM 9 C LIG 1 1.866 1.441 -0.796 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -0.305 -0.752 1.155 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -0.713 -2.077 1.717 0.00 0.00 +0.064 C ATOM 12 O LIG 1 1.418 -2.768 0.086 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 6.011 -1.062 -0.552 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.372 -0.370 0.481 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.005 -0.536 0.715 0.00 0.00 +0.017 A ATOM 16 C LIG 1 3.264 -1.388 -0.108 0.00 0.00 +0.040 A ATOM 17 C LIG 1 3.901 -2.103 -1.128 0.00 0.00 +0.017 A ATOM 18 C LIG 1 5.272 -1.934 -1.354 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.057 -1.509 -1.680 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.349 -0.804 -0.667 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 O LIG 1 0.661 4.860 -0.668 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 -0.384 5.643 -0.118 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -1.591 5.219 -0.553 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -0.356 5.616 1.231 0.00 0.00 -0.133 F ATOM 25 F LIG 1 -0.222 6.924 -0.517 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 6 21 BRANCH 8 26 ATOM 26 C LIG 1 -2.235 0.765 1.988 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 -3.354 0.398 1.040 0.00 0.00 -0.040 A ATOM 28 C LIG 1 -4.101 -0.773 1.243 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -5.141 -1.134 0.379 0.00 0.00 +0.122 A ATOM 30 C LIG 1 -5.450 -0.309 -0.701 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -4.724 0.865 -0.911 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.686 1.218 -0.048 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 O LIG 1 -5.769 -2.304 0.708 0.00 0.00 -0.477 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.795 -2.763 -0.175 0.00 0.00 +0.346 C BRANCH 34 35 ATOM 35 C LIG 1 -7.338 -4.043 0.311 0.00 0.00 +0.104 C ATOM 36 N LIG 1 -7.789 -5.051 0.672 0.00 0.00 -0.193 NA ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9