BCDEX 98 0AGL4 C4 1 2.748 2.243 1.295 0AGL4 C2 2 2.965 2.167 1.183 0AGL4 O2 3 3.048 2.155 1.063 0AGL4 HO2 4 2.987 2.117 0.991 0AGL4 C3 5 2.830 2.239 1.165 0AGL4 O3 6 2.755 2.184 1.053 0AGL4 HO3 7 2.656 2.208 1.064 0AGL4 C6 8 2.774 2.340 1.536 0AGL4 O6 9 2.773 2.481 1.572 0AGL4 HO6 10 2.675 2.507 1.593 0AGL4 C1 11 3.042 2.236 1.297 0AGL4 O1 12 3.081 2.372 1.266 0AGL4 O5 13 2.962 2.236 1.417 0AGL4 C5 14 2.838 2.311 1.400 1AGL4 C4 15 3.214 2.413 1.308 1AGL4 C2 16 3.414 2.539 1.200 1AGL4 O2 17 3.460 2.612 1.082 1AGL4 HO2 18 3.494 2.545 1.012 1AGL4 C3 19 3.275 2.476 1.180 1AGL4 O3 20 3.277 2.379 1.071 1AGL4 HO3 21 3.190 2.328 1.071 1AGL4 C6 22 3.135 2.510 1.539 1AGL4 O6 23 3.109 2.632 1.614 1AGL4 HO6 24 3.064 2.607 1.701 1AGL4 C1 25 3.407 2.637 1.319 1AGL4 O1 26 3.326 2.753 1.294 1AGL4 O5 27 3.351 2.575 1.437 1AGL4 C5 28 3.214 2.529 1.410 2AGL4 C4 29 3.385 2.883 1.321 2AGL4 C2 30 3.401 3.102 1.190 2AGL4 O2 31 3.390 3.174 1.063 2AGL4 HO2 32 3.360 3.109 0.987 2AGL4 C3 33 3.374 2.951 1.184 2AGL4 O3 34 3.464 2.886 1.089 2AGL4 HO3 35 3.449 2.784 1.093 2AGL4 C6 36 3.300 2.898 1.563 2AGL4 O6 37 3.173 2.888 1.632 2AGL4 HO6 38 3.133 2.795 1.613 2AGL4 C1 39 3.309 3.167 1.296 2AGL4 O1 40 3.168 3.168 1.268 2AGL4 O5 41 3.325 3.103 1.425 2AGL4 C5 42 3.298 2.960 1.422 3AGL4 C4 43 3.104 3.293 1.309 3AGL4 C2 44 2.960 3.478 1.207 3AGL4 O2 45 2.902 3.537 1.087 3AGL4 HO2 46 2.962 3.508 1.010 3AGL4 C3 47 3.042 3.351 1.180 3AGL4 O3 48 3.144 3.380 1.082 3AGL4 HO3 49 3.198 3.296 1.064 3AGL4 C6 50 3.039 3.215 1.546 3AGL4 O6 51 2.938 3.190 1.648 3AGL4 HO6 52 2.975 3.120 1.713 3AGL4 C1 53 2.853 3.449 1.315 3AGL4 O1 54 2.753 3.353 1.273 3AGL4 O5 55 2.918 3.399 1.435 3AGL4 C5 56 2.991 3.274 1.412 4AGL4 C4 57 2.614 3.371 1.312 4AGL4 C2 58 2.385 3.325 1.197 4AGL4 O2 59 2.314 3.283 1.078 4AGL4 HO2 60 2.330 3.353 1.003 4AGL4 C3 61 2.538 3.338 1.181 4AGL4 O3 62 2.572 3.437 1.081 4AGL4 HO3 63 2.672 3.433 1.065 4AGL4 C6 64 2.638 3.259 1.546 4AGL4 O6 65 2.683 3.124 1.573 4AGL4 HO6 66 2.765 3.131 1.634 4AGL4 C1 67 2.357 3.221 1.307 4AGL4 O1 68 2.395 3.085 1.277 4AGL4 O5 69 2.422 3.258 1.430 4AGL4 C5 70 2.567 3.264 1.412 5AGL4 C4 71 2.290 2.991 1.314 5AGL4 C2 72 2.146 2.808 1.203 5AGL4 O2 73 2.117 2.734 1.082 5AGL4 HO2 74 2.068 2.795 1.018 5AGL4 C3 75 2.251 2.919 1.183 5AGL4 O3 76 2.207 3.014 1.082 5AGL4 HO3 77 2.260 3.102 1.089 5AGL4 C6 78 2.391 2.935 1.545 5AGL4 O6 79 2.446 2.845 1.646 5AGL4 HO6 80 2.490 2.906 1.718 5AGL4 C1 81 2.197 2.712 1.313 5AGL4 O1 82 2.315 2.637 1.275 5AGL4 O5 83 2.229 2.784 1.434 5AGL4 C5 84 2.336 2.881 1.412 6AGL4 C4 85 2.319 2.495 1.308 6AGL4 C2 86 2.398 2.280 1.184 6AGL4 O2 87 2.449 2.222 1.059 6AGL4 HO2 88 2.436 2.289 0.981 6AGL4 C3 89 2.363 2.430 1.175 6AGL4 O3 90 2.264 2.458 1.071 6AGL4 HO3 91 2.230 2.553 1.082 6AGL4 C6 92 2.414 2.530 1.544 6AGL4 O6 93 2.536 2.586 1.600 6AGL4 HO6 94 2.514 2.681 1.631 6AGL4 C1 95 2.503 2.262 1.295 6AGL4 O1 96 2.631 2.322 1.262 6AGL4 O5 97 2.461 2.320 1.420 6AGL4 C5 98 2.432 2.463 1.408 3.74388 3.74388 2.64732 0.00000 0.00000 0.00000 0.00000 1.87194 1.87194