REMARK Name = BDB019866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.072 0.658 0.800 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.104 1.530 1.165 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.442 1.124 1.086 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.726 -0.176 0.639 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.708 -1.048 0.218 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.375 -0.621 0.315 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.529 2.041 1.451 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -4.268 2.759 0.481 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -5.306 3.611 0.903 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -5.598 3.751 2.255 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -6.587 4.569 2.634 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.877 3.058 3.214 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.847 2.206 2.814 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -3.968 2.639 -0.997 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -2.678 2.945 -1.308 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.729 3.470 -1.768 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -4.190 1.389 -1.492 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.277 0.196 1.220 0.00 0.00 -0.304 N ATOM 19 H LIG 1 2.006 -0.748 1.444 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.331 1.144 0.903 0.00 0.00 +0.245 C ATOM 21 O LIG 1 1.578 2.332 0.741 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.692 0.515 1.278 0.00 0.00 +0.107 C BRANCH 22 29 ATOM 23 C LIG 1 4.391 -2.286 -2.919 0.00 0.00 +0.047 C ATOM 24 C LIG 1 4.740 -1.108 -2.061 0.00 0.00 -0.015 A ATOM 25 C LIG 1 5.702 -0.191 -2.485 0.00 0.00 +0.126 A ATOM 26 F LIG 1 6.336 -0.380 -3.651 0.00 0.00 -0.205 F ATOM 27 C LIG 1 6.022 0.924 -1.720 0.00 0.00 +0.039 A ATOM 28 C LIG 1 5.367 1.140 -0.508 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.382 0.246 -0.053 0.00 0.00 -0.027 A ATOM 30 C LIG 1 4.075 -0.875 -0.848 0.00 0.00 +0.011 A ENDBRANCH 22 29 BRANCH 22 31 ATOM 31 C LIG 1 4.287 -0.212 2.462 0.00 0.00 +0.014 C ATOM 32 C LIG 1 5.682 -0.794 2.498 0.00 0.00 +0.006 C ATOM 33 C LIG 1 4.489 -1.711 2.509 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 34 ATOM 34 C LIG 1 -2.030 -2.428 -0.320 0.00 0.00 +0.144 C BRANCH 34 35 ATOM 35 N LIG 1 -3.041 -2.410 -1.353 0.00 0.00 -0.278 N ATOM 36 C LIG 1 -4.380 -2.570 -1.173 0.00 0.00 +0.278 C ATOM 37 N LIG 1 -5.040 -2.974 -0.157 0.00 0.00 -0.253 NA ATOM 38 H LIG 1 -4.404 -3.218 0.597 0.00 0.00 +0.191 HD ATOM 39 O LIG 1 -5.061 -2.211 -2.296 0.00 0.00 -0.464 OA ATOM 40 C LIG 1 -4.105 -1.918 -3.324 0.00 0.00 +0.251 C ATOM 41 C LIG 1 -2.783 -1.726 -2.602 0.00 0.00 +0.151 C ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 8