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PM3 PRECISE XYZ C -5.473 1 -1.003 1 2.527 1 C -4.631 1 -0.95 1 1.255 1 C -5.1 1 0.174 1 0.339 1 C -3.162 1 -0.764 1 1.588 1 O -2.724 1 -0.368 1 2.658 1 O -2.396 1 -1.1 1 0.509 1 C -0.985 1 -0.929 1 0.711 1 C -0.241 1 -1.391 1 -0.544 1 O 1.182 1 -1.312 1 -0.305 1 C 1.752 1 -0.473 1 -1.33 1 N 2.912 1 0.268 1 -0.836 1 C 3.176 1 0.399 1 0.514 1 C 4.243 1 1.062 1 0.969 1 C 5.172 1 1.675 1 -0.001 1 N 6.253 1 2.341 1 0.237 1 O 6.509 1 2.446 1 1.609 1 N 4.831 1 1.513 1 -1.314 1 C 3.737 1 0.841 1 -1.795 1 O 3.522 1 0.784 1 -3.004 1 C 0.61 1 0.428 1 -1.833 1 O 0.341 1 1.523 1 -0.945 1 C -0.558 1 -0.54 1 -1.785 1 O -0.532 1 -1.356 1 -2.963 1 H -5.417 1 -0.061 1 3.084 1 H -6.525 1 -1.195 1 2.29 1 H -5.124 1 -1.801 1 3.192 1 H -4.739 1 -1.915 1 0.744 1 H -6.157 1 0.053 1 0.08 1 H -4.974 1 1.153 1 0.815 1 H -4.526 1 0.188 1 -0.594 1 H -0.657 1 -1.533 1 1.566 1 H -0.763 1 0.12 1 0.938 1 H -0.486 1 -2.442 1 -0.737 1 H 2.084 1 -1.141 1 -2.135 1 H 2.482 1 -0.065 1 1.209 1 H 4.454 1 1.161 1 2.026 1 H 7.341 1 2.955 1 1.629 1 H 5.445 1 1.924 1 -2.001 1 H 0.806 1 0.831 1 -2.831 1 H 1.181 1 2.01 1 -0.85 1 H -1.531 1 -0.042 1 -1.736 1 H -1.329 1 -1.916 1 -2.946 1 Bond info. 1 2 1 1 24 1 1 25 1 1 26 1 2 3 1 2 4 1 2 27 1 3 28 1 3 29 1 3 30 1 4 5 2 4 6 1 6 7 1 7 8 1 7 31 1 7 32 1 8 9 1 8 22 1 8 33 1 9 10 1 10 11 1 10 20 1 10 34 1 11 12 1 11 18 1 12 13 2 12 35 1 13 14 1 13 36 1 14 15 2 14 17 1 15 16 1 16 37 1 17 18 1 17 38 1 18 19 2 20 21 1 20 22 1 20 39 1 21 40 1 22 23 1 22 41 1 23 42 1