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- CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1
- ATOM 1 C1 ald X 1 0.784 2.065 0.733 0.00 0.25 1 C
- ATOM 2 C2 ald X 1 0.635 0.561 0.337 0.00 2.27 1 C
- ATOM 3 C3 ald X 1 -0.857 0.120 0.469 0.00 1.13 1 C
- ATOM 4 C4 ald X 1 -1.313 -0.088 1.933 0.00 1.29 1 C
- ATOM 5 C5 ald X 1 -0.424 -1.121 2.615 0.00 1.34 1 C
- ATOM 6 O6 ald X 1 -0.874 -1.947 3.467 0.00 0.17 1 O
- ATOM 7 C7 ald X 1 1.016 -1.059 2.276 0.00 1.91 1 C
- ATOM 8 C8 ald X 1 1.522 -0.267 1.286 0.00 1.79 1 C
- ATOM 9 C9 ald X 1 3.023 -0.111 1.107 0.00 1.31 1 C
- ATOM 10 C10 ald X 1 3.463 -0.359 -0.356 0.00 0.88 1 C
- ATOM 11 C11 ald X 1 2.644 0.482 -1.368 0.00 2.51 1 C
- ATOM 12 H12 ald X 1 2.879 1.550 -1.237 0.00 0.00 1 H
- ATOM 13 C13 ald X 1 3.000 0.064 -2.809 0.00 32.01 1 C
- ATOM 14 H14 ald X 1 2.704 -1.004 -2.895 0.00 2.40 1 H
- ATOM 15 C15 ald X 1 4.473 0.166 -3.303 0.00 15.18 1 C
- ATOM 16 C16 ald X 1 4.357 0.295 -4.867 0.00 3.28 1 C
- ATOM 17 C17 ald X 1 2.828 0.221 -5.198 0.00 23.23 1 C
- ATOM 18 H18 ald X 1 2.511 -0.837 -5.259 0.00 3.13 1 H
- ATOM 19 C19 ald X 1 2.429 0.931 -6.488 0.00 25.52 1 C
- ATOM 20 O20 ald X 1 2.867 2.077 -6.781 0.00 19.31 1 O
- ATOM 21 C21 ald X 1 1.471 0.161 -7.393 0.00 6.93 1 C
- ATOM 22 O22 ald X 1 1.021 1.031 -8.473 0.00 5.84 1 O
- ATOM 23 C23 ald X 1 2.161 0.799 -3.888 0.00 50.89 1 C
- ATOM 24 C24 ald X 1 2.362 2.324 -3.880 0.00 52.19 1 C
- ATOM 25 O25 ald X 1 3.309 2.920 -3.306 0.00 17.48 1 O
- ATOM 26 C26 ald X 1 0.672 0.456 -3.685 0.00 7.35 1 C
- ATOM 27 C27 ald X 1 0.217 0.838 -2.250 0.00 2.57 1 C
- ATOM 28 H28 ald X 1 -0.817 0.485 -2.104 0.00 0.30 1 H
- ATOM 29 O29 ald X 1 0.252 2.315 -2.116 0.00 0.31 1 O
- ATOM 30 C30 ald X 1 1.117 0.239 -1.137 0.00 1.68 1 C
- ATOM 31 H31 ald X 1 0.977 -0.861 -1.237 0.00 0.03 1 H
- ATOM 32 H32 ald X 1 1.784 2.445 0.492 0.00 0.00 1 H
- ATOM 33 H33 ald X 1 0.058 2.679 0.192 0.00 0.00 1 H
- ATOM 34 H34 ald X 1 0.628 2.173 1.817 0.00 0.00 1 H
- ATOM 35 H35 ald X 1 -1.503 0.866 -0.020 0.00 0.00 1 H
- ATOM 36 H36 ald X 1 -0.991 -0.836 -0.069 0.00 0.00 1 H
- ATOM 37 H37 ald X 1 -1.251 0.860 2.495 0.00 0.45 1 H
- ATOM 38 H38 ald X 1 -2.356 -0.434 1.985 0.00 0.45 1 H
- ATOM 39 H39 ald X 1 1.683 -1.650 2.910 0.00 0.10 1 H
- ATOM 40 H40 ald X 1 3.319 0.911 1.403 0.00 0.14 1 H
- ATOM 41 H41 ald X 1 3.549 -0.802 1.786 0.00 0.14 1 H
- ATOM 42 H42 ald X 1 4.537 -0.140 -0.467 0.00 0.00 1 H
- ATOM 43 H43 ald X 1 3.321 -1.429 -0.597 0.00 0.00 1 H
- ATOM 44 H44 ald X 1 4.960 1.053 -2.879 0.00 0.00 1 H
- ATOM 45 H45 ald X 1 5.053 -0.720 -3.011 0.00 0.00 1 H
- ATOM 46 H46 ald X 1 4.744 1.264 -5.212 0.00 0.15 1 H
- ATOM 47 H47 ald X 1 4.909 -0.495 -5.395 0.00 0.15 1 H
- ATOM 48 H48 ald X 1 2.005 -0.730 -7.773 0.00 0.50 1 H
- ATOM 49 H49 ald X 1 0.625 -0.199 -6.780 0.00 0.50 1 H
- ATOM 50 H50 ald X 1 0.535 0.508 -9.144 0.00 3.57 1 H
- ATOM 51 H51 ald X 1 1.623 2.901 -4.463 0.00 7.64 1 H
- ATOM 52 H52 ald X 1 0.026 0.980 -4.415 0.00 2.50 1 H
- ATOM 53 H53 ald X 1 0.526 -0.628 -3.842 0.00 2.50 1 H
- ATOM 54 H54 ald X 1 -0.421 2.720 -2.707 0.00 0.00 1 H
- END
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