REMARK Name = BDB035495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.895 -1.335 0.572 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.143 -0.179 0.336 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.470 0.926 -0.052 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.256 -0.508 0.635 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.370 0.308 0.554 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.612 -0.243 0.893 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.689 -1.601 1.290 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.544 -2.418 1.367 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.325 -1.837 1.031 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.045 -2.436 1.008 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.522 -0.528 -0.053 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.125 -0.392 0.079 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.304 -1.474 0.434 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.921 -2.714 0.658 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.303 -2.870 0.528 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.098 -1.785 0.175 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.420 0.647 -0.428 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 4.628 -0.285 -3.322 0.00 0.00 +0.151 C ATOM 19 N LIG 1 4.554 1.055 -2.804 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.885 1.501 -1.548 0.00 0.00 +0.141 A ATOM 21 N LIG 1 4.693 2.807 -1.515 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 4.222 3.211 -2.739 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 4.135 2.147 -3.500 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.785 1.506 0.798 0.00 0.00 +0.015 C ATOM 25 C LIG 1 4.711 2.230 1.662 0.00 0.00 +0.080 C ATOM 26 C LIG 1 5.658 2.050 2.871 0.00 0.00 +0.250 C ATOM 27 F LIG 1 5.064 1.762 4.050 0.00 0.00 -0.206 F ATOM 28 F LIG 1 6.514 3.072 3.103 0.00 0.00 -0.206 F ATOM 29 C LIG 1 6.268 0.842 2.119 0.00 0.00 +0.080 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.627 -3.862 1.781 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.876 -4.268 2.132 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.217 -4.703 0.791 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.827 -4.136 2.849 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -4.872 0.592 0.806 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.653 0.202 -0.368 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.028 0.179 -1.175 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.851 1.046 -0.560 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.490 0.625 -1.916 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -6.660 1.719 -2.615 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -6.464 2.388 -1.240 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.815 1.070 0.610 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8